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

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethoxyphenyl)acrylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)OCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C(=O)OCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C20H21NO5S/c1-24-15-9-10-17(25-2)14(12-15)8-11-20(23)26-13-19(22)21-16-6-4-5-7-18(16)27-3/h4-12H,13H2,1-3H3,(H,21,22)/b11-8+