methyl 3-[[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-ethylanilino)-2-oxo-ethyl]-methyl-sulfamoyl]benzothiophene-2-carboxylate CAS Name: 3-[[2-(4-ethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(4-ethylanilino)-2-keto-ethyl]-methyl-sulfamoyl]benzothiophene-2-carboxylic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H22N2O5S2/c1-4-14-9-11-15(12-10-14)22-18(24)13-23(2)30(26,27)20-16-7-5-6-8-17(16)29-19(20)21(25)28-3/h5-12H,4,13H2,1-3H3,(H,22,24)