[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4-dimethoxyphenyl)-2-propenoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,4-dimethoxyphenyl)acrylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C=CC2=C(C=C(C=C2)OC)OC)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)/C=C/C2=C(C=C(C=C2)OC)OC)SC

InChI

InChI=1S/C22H23NO6S/c1-14(24)23-18-11-16(6-9-21(18)30-4)19(25)13-29-22(26)10-7-15-5-8-17(27-2)12-20(15)28-3/h5-12H,13H2,1-4H3,(H,23,24)/b10-7+