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

Systemtic Name: 2-(2,5-dimethylphenyl)-5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]isoindole-1,3-dione Openeye Name: 2-(2,5-dimethylphenyl)-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindoline-1,3-dione CAS Name: 2-(2,5-dimethylphenyl)-5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(2,5-dimethylphenyl)-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindole-1,3-dione Traditional Name: 2-(2,5-dimethylphenyl)-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindoline-1,3-quinone Formula: C27H24N2O3S MolecularWeight: 456.55606

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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=C(C=CC(=C5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O3S/c1-16-8-9-17(2)23(14-16)29-26(31)20-11-10-19(15-21(20)27(29)32)25(30)28-13-12-18(3)33-24-7-5-4-6-22(24)28/h4-11,14-15,18H,12-13H2,1-3H3