(4-oxidanylidene-4-thiophen-2-yl-butyl) 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H17NO4S2 MolecularWeight: 375.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCCCC(=O)C3=CC=CS3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCCCC(=O)C3=CC=CS3)NC1=O

InChI

InChI=1S/C18H17NO4S2/c20-14(16-4-2-9-24-16)3-1-8-23-18(22)12-5-6-15-13(11-12)19-17(21)7-10-25-15/h2,4-6,9,11H,1,3,7-8,10H2,(H,19,21)