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

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(4-ethoxyphenoxy)propanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 3-(4-ethoxyphenoxy)propanoate CAS Name: 3-(4-ethoxyphenoxy)propanoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate Traditional Name: 3-(4-ethoxyphenoxy)propionic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCCSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NCCSC2=CC=C(C=C2)C

InChI

InChI=1S/C22H27NO5S/c1-3-26-18-6-8-19(9-7-18)27-14-12-22(25)28-16-21(24)23-13-15-29-20-10-4-17(2)5-11-20/h4-11H,3,12-16H2,1-2H3,(H,23,24)