1-[[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)phenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)phenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[3-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzyl]-2-pyrrolidone Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=CC(=C2)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=CC(=C2)C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O2S/c24-20-10-4-11-22(20)15-16-6-3-7-17(14-16)21(25)23-12-5-13-26-19-9-2-1-8-18(19)23/h1-3,6-9,14H,4-5,10-13,15H2