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

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(cyclopropylsulfamoyl)-4-methoxybenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(cyclopropylsulfamoyl)-4-methoxy-benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C20H21NO6S2 MolecularWeight: 435.51384

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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)NC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)SC)S(=O)(=O)NC3CC3

InChI

InChI=1S/C20H21NO6S2/c1-26-18-10-5-14(11-19(18)29(24,25)21-15-6-7-15)20(23)27-12-17(22)13-3-8-16(28-2)9-4-13/h3-5,8-11,15,21H,6-7,12H2,1-2H3