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

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S2/c1-14-2-4-16(5-3-14)27-11-9-20-17(22)12-25-18(23)6-8-21-19(24)15-7-10-26-13-15/h2-5,7,10,13H,6,8-9,11-12H2,1H3,(H,20,22)(H,21,24)