[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)OC

InChI

InChI=1S/C25H23NO5S/c1-29-21-14-12-18(16-22(21)30-2)13-15-25(28)31-17-24(27)26-20-10-6-7-11-23(20)32-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3,(H,26,27)/b15-13+