ethyl 1-methyl-4-[methyl-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfamoyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 1-methyl-4-[methyl-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfamoyl]pyrrole-2-carboxylate Openeye Name: ethyl 1-methyl-4-[methyl-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]sulfamoyl]pyrrole-2-carboxylate CAS Name: 1-methyl-4-[methyl-[2-[3-(methylthio)anilino]-2-oxoethyl]sulfamoyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-4-[methyl-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylate Traditional Name: 4-[[2-keto-2-[3-(methylthio)anilino]ethyl]-methyl-sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N(C)CC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N(C)CC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H23N3O5S2/c1-5-26-18(23)16-10-15(11-20(16)2)28(24,25)21(3)12-17(22)19-13-7-6-8-14(9-13)27-4/h6-11H,5,12H2,1-4H3,(H,19,22)