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

Systemtic Name: propan-2-yl 4-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-6-phenyl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-cyano-6-phenyl-2-pyridyl)thio]-3-keto-butyric acid isopropyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-13(2)24-18(23)10-16(22)12-25-19-15(11-20)8-9-17(21-19)14-6-4-3-5-7-14/h3-9,13H,10,12H2,1-2H3