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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-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-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-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-(4-methoxyphenyl)ethyl] ester Formula: C30H24N2O4S MolecularWeight: 508.58756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C30H24N2O4S/c1-35-24-14-12-23(13-15-24)28(33)20-36-29(34)16-17-37-30-26(19-31)25(21-8-4-2-5-9-21)18-27(32-30)22-10-6-3-7-11-22/h2-15,18H,16-17,20H2,1H3