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

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-keto-butyl]isoindoline-1,3-quinone Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O3S/c24-19(22-13-6-14-27-18-10-4-3-9-17(18)22)11-5-12-23-20(25)15-7-1-2-8-16(15)21(23)26/h1-4,7-10H,5-6,11-14H2