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

Systemtic Name: 2-(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)isoindole-1,3-dione Openeye Name: 2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)isoindoline-1,3-dione CAS Name: 2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)isoindole-1,3-dione IUPAC Name: 2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)isoindole-1,3-dione Traditional Name: 2-(4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)isoindoline-1,3-quinone Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C(C(=O)NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H12N2O3S/c20-15-13(9-23-14-8-4-3-7-12(14)18-15)19-16(21)10-5-1-2-6-11(10)17(19)22/h1-8,13H,9H2,(H,18,20)