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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]propanoate CAS Name: 3-[(3-cyano-6-phenyl-2-pyridinyl)thio]propanoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 3-(3-cyano-6-phenylpyridin-2-yl)sulfanylpropanoate Traditional Name: 3-[(3-cyano-6-phenyl-2-pyridyl)thio]propionic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C23H17ClN2O3S MolecularWeight: 436.91068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)OCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)OCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H17ClN2O3S/c24-19-9-6-17(7-10-19)21(27)15-29-22(28)12-13-30-23-18(14-25)8-11-20(26-23)16-4-2-1-3-5-16/h1-11H,12-13,15H2