methyl 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylethoxycarbonylamino]pyrrole-2-carboxylate

Systemtic Name: methyl 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylethoxycarbonylamino]pyrrole-2-carboxylate Openeye Name: methyl 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylethoxycarbonylamino]pyrrole-2-carboxylate CAS Name: 1-methyl-4-[[oxo-[2-[[4-(trifluoromethyl)phenyl]thio]ethoxy]methyl]amino]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylethoxycarbonylamino]pyrrole-2-carboxylate Traditional Name: 1-methyl-4-[2-[[4-(trifluoromethyl)phenyl]thio]ethoxycarbonylamino]pyrrole-2-carboxylic acid methyl ester Formula: C17H17F3N2O4S MolecularWeight: 402.38809

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC)NC(=O)OCCSC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CN1C=C(C=C1C(=O)OC)NC(=O)OCCSC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H17F3N2O4S/c1-22-10-12(9-14(22)15(23)25-2)21-16(24)26-7-8-27-13-5-3-11(4-6-13)17(18,19)20/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)