[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C=CSC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C21H23NO6S/c1-25-17-11-15(12-18(26-2)21(17)27-3)13-22-19(23)14-28-20(24)9-10-29-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,22,23)/b10-9+