[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate Traditional Name: 3,4-dimethyl-5-sulfamoyl-benzoic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC)S(=O)(=O)N)C

InChI

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