4-oxidanylidene-N-(4-pyrrolidin-1-ylcarbonylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(4-pyrrolidin-1-ylcarbonylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[4-(pyrrolidine-1-carbonyl)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:

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

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