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

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C19H21NO5S2/c1-14-4-10-17(11-5-14)27(23,24)20(2)12-19(22)25-13-18(21)15-6-8-16(26-3)9-7-15/h4-11H,12-13H2,1-3H3