[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate CAS Name: 3-(2,3-dimethoxyphenyl)propanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate Traditional Name: 3-(2,3-dimethoxyphenyl)propionic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-26-19-11-6-8-17(22(19)27-2)12-13-21(25)28-16-20(24)23-14-7-15-29-18-9-4-3-5-10-18/h3-6,8-11H,7,12-16H2,1-2H3,(H,23,24)