[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-2-propenoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)acrylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=CC=CC=C2SC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=CC=C2SC)OC

InChI

InChI=1S/C21H23NO5S/c1-4-26-17-11-9-15(13-18(17)25-2)10-12-21(24)27-14-20(23)22-16-7-5-6-8-19(16)28-3/h5-13H,4,14H2,1-3H3,(H,22,23)/b12-10+