[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoate CAS Name: 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]propanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoate Traditional Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propionic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C20H20N2O3S/c1-13-4-6-16(7-5-13)18(23)12-25-19(24)8-9-26-20-17(11-21)14(2)10-15(3)22-20/h4-7,10H,8-9,12H2,1-3H3