tert-butyl 4-(2-methoxy-2-oxoethyl)-5-methyl-6H-thieno[2,3-b]pyrrole-6-carboxylate - CAS 1179808-94-6

Name: tert-butyl 4-(2-methoxy-2-oxoethyl)-5-methyl-6H-thieno[2,3-b]pyrrole-6-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004035
Product Name:	tert-butyl 4-(2-methoxy-2-oxoethyl)-5-methyl-6H-thieno[2,3-b]pyrrole-6-carboxylate
CAS:	1179808-94-6
Synonyms:	4-(2-methoxy-2-oxoethyl)-5-methyl-6-thieno[2,3-b]pyrrolecarboxylic acid tert-butyl ester; tert-butyl 4-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-b]pyrrole-6-carboxylate

Technical Data

IUPAC Name:	tert-butyl 4-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-b]pyrrole-6-carboxylate
Description:	tert-butyl 4-(2-methoxy-2-oxoethyl)-5-methyl-6H-thieno[2,3-b]pyrrole-6-carboxylate (CAS# 1179808-94-6 ) is a useful research chemical.
Molecular Weight:	309.38
Molecular Formula:	C15H19NO4S
Canonical SMILES:	CC1=C(C2=C(N1C(=O)OC(C)(C)C)SC=C2)CC(=O)OC
InChI:	InChI=1S/C15H19NO4S/c1-9-11(8-12(17)19-5)10-6-7-21-13(10)16(9)14(18)20-15(2,3)4/h6-7H,8H2,1-5H3
InChI Key:	MCWKDIJSGPWCEO-UHFFFAOYSA-N
LogP:	3.50990

Publication Number	Title	Priority Date
US-2009209609-A1	Thienopyrroles and pyrrolothiazoles as new therapeutic agents	20080215
US-8101645-B2	Thienopyrroles and pyrrolothiazoles as new therapeutic agents	20080215
WO-2009102462-A1	Thienopyrroles and pyrrolothiazoles as new therapeutic agents	20080215

Complexity:	420
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	309.10347926
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	309.10347926
Rotatable Bond Count:	5
Topological Polar Surface Area:	85.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5