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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)N4CCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)N4CCCC4=O

InChI

InChI=1S/C21H21N3O3S/c1-13-11-15(5-6-17(13)24-9-2-3-20(24)26)22-21(27)14-4-7-18-16(12-14)23-19(25)8-10-28-18/h4-7,11-12H,2-3,8-10H2,1H3,(H,22,27)(H,23,25)