4-oxidanylidene-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[2-(2-thienylmethylsulfanyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[2-(thiophen-2-ylmethylthio)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(2-thenylthio)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H18N2O2S3 MolecularWeight: 378.53202

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CS3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CS3)NC1=O

InChI

InChI=1S/C17H18N2O2S3/c20-16-5-8-24-15-4-3-12(10-14(15)19-16)17(21)18-6-9-22-11-13-2-1-7-23-13/h1-4,7,10H,5-6,8-9,11H2,(H,18,21)(H,19,20)