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

Systemtic Name: methyl 2-methyl-5-oxidanylidene-1-(phenylmethyl)-4-(thiophen-2-ylcarbonylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl 1-benzyl-2-methyl-5-oxo-4-(thiophene-2-carbonylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: 2-methyl-5-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]-1-(phenylmethyl)-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-2-methyl-5-oxo-4-(thiophene-2-carbonylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: 1-benzyl-5-keto-2-methyl-4-(2-thenoylamino)-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C20H17F3N2O4S MolecularWeight: 438.42019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1CC2=CC=CC=C2)(C(F)(F)F)NC(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=O)N1CC2=CC=CC=C2)(C(F)(F)F)NC(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C20H17F3N2O4S/c1-12-15(17(27)29-2)19(20(21,22)23,24-16(26)14-9-6-10-30-14)18(28)25(12)11-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,24,26)