methyl 4-[(3-methylsulfanylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[(3-methylsulfanylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[(3-methylsulfanylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate CAS Name: 4-[[3-(methylthio)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[(3-methylsulfanylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[[3-(methylthio)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H14N2O4S2 MolecularWeight: 326.39126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)S(=O)(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

COC(=O)C1=CC(=CN1)S(=O)(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C13H14N2O4S2/c1-19-13(16)12-7-11(8-14-12)21(17,18)15-9-4-3-5-10(6-9)20-2/h3-8,14-15H,1-2H3