[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C=CSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)/C=C/SC2=CC=CC=C2)OC

InChI

InChI=1S/C21H23NO5S/c1-25-18-9-8-16(14-19(18)26-2)10-12-22-20(23)15-27-21(24)11-13-28-17-6-4-3-5-7-17/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,22,23)/b13-11+