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

Systemtic Name: 5-methyl-2-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 5-methyl-2-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 5-methyl-2-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 5-methyl-2-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-keto-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propyl]-5-methyl-isoindoline-1,3-quinone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)C

InChI

InChI=1S/C22H22N2O3S/c1-14-7-8-16-17(13-14)22(27)24(21(16)26)12-10-20(25)23-11-9-15(2)28-19-6-4-3-5-18(19)23/h3-8,13,15H,9-12H2,1-2H3