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

Systemtic Name: 4-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[3-(2-ketopyrrolidino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c24-18-8-10-27-17-7-6-13(11-16(17)22-18)20(26)21-14-3-1-4-15(12-14)23-9-2-5-19(23)25/h1,3-4,6-7,11-12H,2,5,8-10H2,(H,21,26)(H,22,24)