[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethoxyphenyl)acrylic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)OCC(=O)NC2=CC=CC=C2SCC=C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C(=O)OCC(=O)NC2=CC=CC=C2SCC=C

InChI

InChI=1S/C22H23NO5S/c1-4-13-29-20-8-6-5-7-18(20)23-21(24)15-28-22(25)12-9-16-14-17(26-2)10-11-19(16)27-3/h4-12,14H,1,13,15H2,2-3H3,(H,23,24)/b12-9+