methyl 5-[(7,7-dimethyl-4-oxidanylidene-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)carbamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[(7,7-dimethyl-4-oxidanylidene-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)carbamoyl]thiophene-2-carboxylate Openeye Name: methyl 5-[(7,7-dimethyl-4-oxo-6,8-dihydro-5H-thiazolo[5,4-c]azepin-2-yl)carbamoyl]thiophene-2-carboxylate CAS Name: 5-[[(7,7-dimethyl-4-oxo-6,8-dihydro-5H-thiazolo[5,4-c]azepin-2-yl)amino]-oxomethyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)carbamoyl]thiophene-2-carboxylate Traditional Name: 5-[(4-keto-7,7-dimethyl-6,8-dihydro-5H-thiazol[5,4-c]azepin-2-yl)carbamoyl]thiophene-2-carboxylic acid methyl ester Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)NC1)SC(=N2)NC(=O)C3=CC=C(S3)C(=O)OC)C

Isomeric SMILES

CC1(CC2=C(C(=O)NC1)SC(=N2)NC(=O)C3=CC=C(S3)C(=O)OC)C

InChI

InChI=1S/C16H17N3O4S2/c1-16(2)6-8-11(13(21)17-7-16)25-15(18-8)19-12(20)9-4-5-10(24-9)14(22)23-3/h4-5H,6-7H2,1-3H3,(H,17,21)(H,18,19,20)