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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-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-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-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-(4-methoxyphenyl)ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCC(=O)OCC(=O)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCC(=O)OCC(=O)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C20H20N2O4S/c1-13-10-14(2)22-20(17(13)11-21)27-9-8-19(24)26-12-18(23)15-4-6-16(25-3)7-5-15/h4-7,10H,8-9,12H2,1-3H3