5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-2-(2-methylphenyl)isoindole-1,3-dione

Systemtic Name: 5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-2-(2-methylphenyl)isoindole-1,3-dione Openeye Name: 5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-(o-tolyl)isoindoline-1,3-dione CAS Name: 5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-2-(2-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-(2-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-(o-tolyl)isoindoline-1,3-quinone Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5C

InChI

InChI=1S/C26H22N2O3S/c1-16-7-3-4-8-21(16)28-25(30)19-12-11-18(15-20(19)26(28)31)24(29)27-14-13-17(2)32-23-10-6-5-9-22(23)27/h3-12,15,17H,13-14H2,1-2H3