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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCSCC3=CSC=C3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCSCC3=CSC=C3)NC1=O

InChI

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