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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 3-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanoate CAS Name: 3-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]propanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanoate Traditional Name: 3-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]propionic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C30H24N2O3S MolecularWeight: 492.58816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C30H24N2O3S/c1-21-12-14-24(15-13-21)28(33)20-35-29(34)16-17-36-30-26(19-31)25(22-8-4-2-5-9-22)18-27(32-30)23-10-6-3-7-11-23/h2-15,18H,16-17,20H2,1H3