methyl (4S)-2-methyl-4-[(3-methylphenyl)carbonylamino]-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-2-methyl-4-[(3-methylphenyl)carbonylamino]-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (4S)-2-methyl-4-[(3-methylbenzoyl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-2-methyl-4-[[(3-methylphenyl)-oxomethyl]amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-methyl-4-[(3-methylbenzoyl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(m-toluoylamino)-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C16H15F3N2O4 MolecularWeight: 356.29651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2(C(=C(NC2=O)C)C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@]2(C(=C(NC2=O)C)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C16H15F3N2O4/c1-8-5-4-6-10(7-8)12(22)21-15(16(17,18)19)11(13(23)25-3)9(2)20-14(15)24/h4-7H,1-3H3,(H,20,24)(H,21,22)/t15-/m0/s1