[2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-keto-2-[4-methyl-3-(methylsulfamoyl)anilino]ethyl] ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)SC)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)SC)S(=O)(=O)NC

InChI

InChI=1S/C18H20N2O5S2/c1-12-4-7-14(10-16(12)27(23,24)19-2)20-17(21)11-25-18(22)13-5-8-15(26-3)9-6-13/h4-10,19H,11H2,1-3H3,(H,20,21)