methyl (3S,4R)-5-cyano-2-oxidanylidene-6-prop-2-enylsulfanyl-4-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl (3S,4R)-5-cyano-2-oxidanylidene-6-prop-2-enylsulfanyl-4-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3S,4R)-6-allylsulfanyl-5-cyano-2-oxo-4-(3-pyridyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3S,4R)-5-cyano-2-oxo-6-(prop-2-enylthio)-4-(3-pyridinyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-5-cyano-2-oxo-6-prop-2-enylsulfanyl-4-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3S,4R)-6-(allylthio)-5-cyano-2-keto-4-(3-pyridyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=C(NC1=O)SCC=C)C#N)C2=CN=CC=C2

Isomeric SMILES

COC(=O)[C@H]1[C@@H](C(=C(NC1=O)SCC=C)C#N)C2=CN=CC=C2

InChI

InChI=1S/C16H15N3O3S/c1-3-7-23-15-11(8-17)12(10-5-4-6-18-9-10)13(14(20)19-15)16(21)22-2/h3-6,9,12-13H,1,7H2,2H3,(H,19,20)/t12-,13+/m1/s1