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

Systemtic Name: 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylethoxycarbonylamino]pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylethoxycarbonylamino]pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[[oxo-[2-[[4-(trifluoromethyl)phenyl]thio]ethoxy]methyl]amino]-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylethoxycarbonylamino]pyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-[2-[[4-(trifluoromethyl)phenyl]thio]ethoxycarbonylamino]pyrrole-2-carboxylic acid Formula: C16H15F3N2O4S MolecularWeight: 388.36151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3N2O4S/c1-21-9-11(8-13(21)14(22)23)20-15(24)25-6-7-26-12-4-2-10(3-5-12)16(17,18)19/h2-5,8-9H,6-7H2,1H3,(H,20,24)(H,22,23)