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

Systemtic Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]isoindoline-1,3-quinone Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H18N2O3S/c1-13-10-11-21(16-8-4-5-9-17(16)26-13)18(23)12-22-19(24)14-6-2-3-7-15(14)20(22)25/h2-9,13H,10-12H2,1H3