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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: [2-(4-chlorophenyl)-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-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-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-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O3S/c1-12-9-13(2)22-19(16(12)10-21)26-8-7-18(24)25-11-17(23)14-3-5-15(20)6-4-14/h3-6,9H,7-8,11H2,1-2H3