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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NCCSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCCSC2=CC=CC=C2)OC

InChI

InChI=1S/C21H23NO5S/c1-25-18-10-8-16(14-19(18)26-2)9-11-21(24)27-15-20(23)22-12-13-28-17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H,22,23)/b11-9+