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

Systemtic Name: 2-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butyl]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)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O3S/c1-15-12-14-23(18-9-4-5-10-19(18)28-15)20(25)11-6-13-24-21(26)16-7-2-3-8-17(16)22(24)27/h2-5,7-10,15H,6,11-14H2,1H3