2-(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-9-yl)ethanenitrile

Systemtic Name: 2-(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-9-yl)ethanenitrile Openeye Name: 2-(6-oxo-5H-benzo[b][1,4]benzothiazepin-9-yl)acetonitrile CAS Name: 2-(6-oxo-5H-benzo[b][1,4]benzothiazepin-9-yl)acetonitrile IUPAC Name: 2-(6-oxo-5H-benzo[b][1,4]benzothiazepin-9-yl)acetonitrile Traditional Name: 2-(6-keto-5H-benzo[b][1,4]benzothiazepin-9-yl)acetonitrile Formula: C15H10N2OS MolecularWeight: 266.3177

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=C(C=C3)CC#N

InChI

InChI=1S/C15H10N2OS/c16-8-7-10-5-6-11-14(9-10)19-13-4-2-1-3-12(13)17-15(11)18/h1-6,9H,7H2,(H,17,18)