1-ethyl-2-methyl-4-oxidanylidene-5,6-dihydro-3H-pyrido[4,3-b][1,4]benzothiazepine-6-carbonitrile

Systemtic Name: 1-ethyl-2-methyl-4-oxidanylidene-5,6-dihydro-3H-pyrido[4,3-b][1,4]benzothiazepine-6-carbonitrile Openeye Name: 1-ethyl-2-methyl-4-oxo-5,6-dihydro-3H-pyrido[4,3-b][1,4]benzothiazepine-6-carbonitrile CAS Name: 1-ethyl-2-methyl-4-oxo-5,6-dihydro-3H-pyrido[4,3-b][1,4]benzothiazepine-6-carbonitrile IUPAC Name: 1-ethyl-2-methyl-4-oxo-5,6-dihydro-3H-pyrido[4,3-b][1,4]benzothiazepine-6-carbonitrile Traditional Name: 1-ethyl-4-keto-2-methyl-5,6-dihydro-3H-pyrido[4,3-b][1,4]benzothiazepine-6-carbonitrile Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)C2=C1SC3=CC=CC=C3C(N2)C#N)C

Isomeric SMILES

CCC1=C(NC(=O)C2=C1SC3=CC=CC=C3C(N2)C#N)C

InChI

InChI=1S/C16H15N3OS/c1-3-10-9(2)18-16(20)14-15(10)21-13-7-5-4-6-11(13)12(8-17)19-14/h4-7,12,19H,3H2,1-2H3,(H,18,20)