[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)OC

InChI

InChI=1S/C25H25NO5S/c1-29-21-14-12-18(16-22(21)30-2)13-15-25(28)31-17-24(27)26-20-10-6-7-11-23(20)32-19-8-4-3-5-9-19/h3-12,14,16H,13,15,17H2,1-2H3,(H,26,27)