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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H18N2O3S/c23-18(21-11-5-13-26-17-9-4-3-8-16(17)21)10-12-22-19(24)14-6-1-2-7-15(14)20(22)25/h1-4,6-9H,5,10-13H2