methyl 4-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 4-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-6-phenyl-2-pyridinyl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-cyano-6-phenyl-2-pyridyl)thio]-3-keto-butyric acid methyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSC1=C(C=CC(=N1)C2=CC=CC=C2)C#N

Isomeric SMILES

COC(=O)CC(=O)CSC1=C(C=CC(=N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C17H14N2O3S/c1-22-16(21)9-14(20)11-23-17-13(10-18)7-8-15(19-17)12-5-3-2-4-6-12/h2-8H,9,11H2,1H3