ethyl 1,2,5-trimethyl-4-[[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfamoyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 1,2,5-trimethyl-4-[[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfamoyl]pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[[2-(3-methylsulfanylanilino)-2-oxo-ethyl]sulfamoyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[2-[3-(methylthio)anilino]-2-oxoethyl]sulfamoyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate Traditional Name: 4-[[2-keto-2-[3-(methylthio)anilino]ethyl]sulfamoyl]-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NC2=CC(=CC=C2)SC)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)NC2=CC(=CC=C2)SC)C)C)C

InChI

InChI=1S/C19H25N3O5S2/c1-6-27-19(24)17-12(2)22(4)13(3)18(17)29(25,26)20-11-16(23)21-14-8-7-9-15(10-14)28-5/h7-10,20H,6,11H2,1-5H3,(H,21,23)