[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25NO5S/c1-15-4-7-17(8-5-15)28-11-10-21(24)27-14-20(23)22-13-16-6-9-18(25-2)19(12-16)26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,23)