[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C18H19ClN2O5S2 MolecularWeight: 442.93686

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NC1=CC(=CC=C1)SC)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN(CC(=O)OCC(=O)NC1=CC(=CC=C1)SC)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O5S2/c1-21(28(24,25)16-8-6-13(19)7-9-16)11-18(23)26-12-17(22)20-14-4-3-5-15(10-14)27-2/h3-10H,11-12H2,1-2H3,(H,20,22)