methyl 5-[[4-methoxy-3-(propylsulfamoyl)phenyl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[4-methoxy-3-(propylsulfamoyl)phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[4-methoxy-3-(propylsulfamoyl)benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[4-methoxy-3-(propylsulfamoyl)phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[4-methoxy-3-(propylsulfamoyl)benzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[4-methoxy-3-(propylsulfamoyl)benzoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)OC

Isomeric SMILES

CCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)OC

InChI

InChI=1S/C21H22N2O6S2/c1-4-9-22-31(26,27)19-12-13(5-7-16(19)28-2)20(24)23-15-6-8-17-14(10-15)11-18(30-17)21(25)29-3/h5-8,10-12,22H,4,9H2,1-3H3,(H,23,24)