[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-(4-methoxyphenyl)propanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S/c1-25-19-10-7-17(8-11-19)9-12-21(24)26-15-20(23)22-13-14-27-16-18-5-3-2-4-6-18/h2-8,10-11H,9,12-16H2,1H3,(H,22,23)