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

Systemtic Name: methyl (4S)-2-methyl-5-oxidanylidene-1-phenethyl-4-(thiophen-2-ylcarbonylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-2-methyl-5-oxo-1-phenethyl-4-(thiophene-2-carbonylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]-1-phenethyl-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-2-methyl-5-oxo-1-phenethyl-4-(thiophene-2-carbonylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-1-phenethyl-4-(2-thenoylamino)-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1CCC2=CC=CC=C2)(C(F)(F)F)NC(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1CCC2=CC=CC=C2)(C(F)(F)F)NC(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C21H19F3N2O4S/c1-13-16(18(28)30-2)20(21(22,23)24,25-17(27)15-9-6-12-31-15)19(29)26(13)11-10-14-7-4-3-5-8-14/h3-9,12H,10-11H2,1-2H3,(H,25,27)/t20-/m0/s1