[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C21H25NO6S/c1-25-17-10-14(11-18(26-2)21(17)27-3)8-9-20(24)28-13-19(23)22-15-6-5-7-16(12-15)29-4/h5-7,10-12H,8-9,13H2,1-4H3,(H,22,23)