6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-9-carbonitrile

Systemtic Name: 6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-9-carbonitrile Openeye Name: 6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carbonitrile CAS Name: 6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carbonitrile IUPAC Name: 6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carbonitrile Traditional Name: 6-keto-5H-benzo[b][1,4]benzothiazepine-9-carbonitrile Formula: C14H8N2OS MolecularWeight: 252.29112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8N2OS/c15-8-9-5-6-10-13(7-9)18-12-4-2-1-3-11(12)16-14(10)17/h1-7H,(H,16,17)