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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C=CC2=CC=C(C=C2)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC)OC

InChI

InChI=1S/C21H23NO5S/c1-25-18-10-6-16(12-19(18)26-2)13-22-20(23)14-27-21(24)11-7-15-4-8-17(28-3)9-5-15/h4-12H,13-14H2,1-3H3,(H,22,23)/b11-7+