methyl (4S)-2-methyl-5-oxidanylidene-4-(thiophen-2-ylcarbonylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-2-methyl-5-oxidanylidene-4-(thiophen-2-ylcarbonylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (4S)-2-methyl-5-oxo-4-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-methyl-5-oxo-4-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(2-thenoylamino)-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C13H11F3N2O4S MolecularWeight: 348.29765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=CS2)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=CS2)C(=O)OC

InChI

InChI=1S/C13H11F3N2O4S/c1-6-8(10(20)22-2)12(11(21)17-6,13(14,15)16)18-9(19)7-4-3-5-23-7/h3-5H,1-2H3,(H,17,21)(H,18,19)/t12-/m0/s1