[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(2-methylphenoxy)propanoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(2-methylphenoxy)propanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 3-(2-methylphenoxy)propanoate CAS Name: 3-(2-methylphenoxy)propanoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate Traditional Name: 3-(2-methylphenoxy)propionic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CCOC2=CC=CC=C2C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CCOC2=CC=CC=C2C

InChI

InChI=1S/C21H25NO4S/c1-16-7-9-18(10-8-16)27-14-12-22-20(23)15-26-21(24)11-13-25-19-6-4-3-5-17(19)2/h3-10H,11-15H2,1-2H3,(H,22,23)