[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H22N2O4S/c1-14-5-3-4-6-17(14)20(25)21-12-11-19(24)26-13-18(23)22-15-7-9-16(27-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,21,25)(H,22,23)