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

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H19ClN2O4S/c1-27-16-5-3-2-4-15(16)22-17(23)12-26-18(24)10-11-21-19(25)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3,(H,21,25)(H,22,23)