[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCCC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCCC2=CC=C(C=C2)OC

InChI

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