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

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 3-(furan-2-carbonylamino)propanoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate Traditional Name: 3-(2-furoylamino)propionic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CCNC(=O)C2=CC=CO2

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CCNC(=O)C2=CC=CO2

InChI

InChI=1S/C19H22N2O5S/c1-14-4-6-15(7-5-14)27-12-10-20-17(22)13-26-18(23)8-9-21-19(24)16-3-2-11-25-16/h2-7,11H,8-10,12-13H2,1H3,(H,20,22)(H,21,24)