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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=CC(=CC=C2)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)SC)OC

InChI

InChI=1S/C20H21NO5S/c1-24-17-9-7-14(11-18(17)25-2)8-10-20(23)26-13-19(22)21-15-5-4-6-16(12-15)27-3/h4-12H,13H2,1-3H3,(H,21,22)/b10-8+