5-oxidanylidene-3,4-dihydro-2H-1,4-benzothiazepine-8-carbonitrile

Systemtic Name: 5-oxidanylidene-3,4-dihydro-2H-1,4-benzothiazepine-8-carbonitrile Openeye Name: 5-oxo-3,4-dihydro-2H-1,4-benzothiazepine-8-carbonitrile CAS Name: 5-oxo-3,4-dihydro-2H-1,4-benzothiazepine-8-carbonitrile IUPAC Name: 5-oxo-3,4-dihydro-2H-1,4-benzothiazepine-8-carbonitrile Traditional Name: 5-keto-3,4-dihydro-2H-1,4-benzothiazepine-8-carbonitrile Formula: C10H8N2OS MolecularWeight: 204.24832

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=CC(=C2)C#N)C(=O)N1

Isomeric SMILES

C1CSC2=C(C=CC(=C2)C#N)C(=O)N1

InChI

InChI=1S/C10H8N2OS/c11-6-7-1-2-8-9(5-7)14-4-3-12-10(8)13/h1-2,5H,3-4H2,(H,12,13)