6-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-[3-(2-ketopyrrolidino)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H21N3O3S/c25-19-7-3-11-24(19)12-4-10-22-20(26)14-8-9-18-16(13-14)23-21(27)15-5-1-2-6-17(15)28-18/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,22,26)(H,23,27)