[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-sulfamoyl-benzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-sulfamoyl-benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 4-methoxy-3-sulfamoyl-benzoate CAS Name: 4-methoxy-3-sulfamoylbenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate Traditional Name: 4-methoxy-3-sulfamoyl-benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C17H17NO6S2 MolecularWeight: 395.44998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)SC)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)SC)S(=O)(=O)N

InChI

InChI=1S/C17H17NO6S2/c1-23-15-8-5-12(9-16(15)26(18,21)22)17(20)24-10-14(19)11-3-6-13(25-2)7-4-11/h3-9H,10H2,1-2H3,(H2,18,21,22)