4-oxidanylidene-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[4-(2-ketopyrrolidino)benzyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H21N3O3S/c25-19-9-11-28-18-8-5-15(12-17(18)23-19)21(27)22-13-14-3-6-16(7-4-14)24-10-1-2-20(24)26/h3-8,12H,1-2,9-11,13H2,(H,22,27)(H,23,25)