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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)sulfonylamino]propanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C18H19ClN2O5S2 MolecularWeight: 442.93686

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H19ClN2O5S2/c1-27-15-6-3-5-14(11-15)21-17(22)12-26-18(23)8-9-20-28(24,25)16-7-2-4-13(19)10-16/h2-7,10-11,20H,8-9,12H2,1H3,(H,21,22)