(3S,4S)-4-(3,4-dimethoxyphenyl)-2-oxidanylidene-6-sulfanyl-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile

Systemtic Name: (3S,4S)-4-(3,4-dimethoxyphenyl)-2-oxidanylidene-6-sulfanyl-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile Openeye Name: (3S,4S)-4-(3,4-dimethoxyphenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile CAS Name: (3S,4S)-4-(3,4-dimethoxyphenyl)-6-mercapto-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile IUPAC Name: (3S,4S)-4-(3,4-dimethoxyphenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile Traditional Name: (3S,4S)-4-(3,4-dimethoxyphenyl)-2-keto-6-mercapto-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=O)NC(=C2C#N)S)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2[C@H](C(=O)NC(=C2C#N)S)C#N)OC

InChI

InChI=1S/C15H13N3O3S/c1-20-11-4-3-8(5-12(11)21-2)13-9(6-16)14(19)18-15(22)10(13)7-17/h3-5,9,13,22H,1-2H3,(H,18,19)/t9-,13-/m1/s1