[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: 2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: 2-cyano-3-(4-methoxyphenyl)acrylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C25H20N2O4S/c1-30-20-13-11-18(12-14-20)15-19(16-26)25(29)31-17-24(28)27-22-9-5-6-10-23(22)32-21-7-3-2-4-8-21/h2-15H,17H2,1H3,(H,27,28)