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

Systemtic Name: methyl (4S)-4-(2-chloranylethanoylamino)-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-[(2-chloroacetyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-4-[(2-chloro-1-oxoethyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-[(2-chloroacetyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-4-[(2-chloroacetyl)amino]-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C10H10ClF3N2O4 MolecularWeight: 314.64561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)CCl)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1)(C(F)(F)F)NC(=O)CCl)C(=O)OC

InChI

InChI=1S/C10H10ClF3N2O4/c1-4-6(7(18)20-2)9(8(19)15-4,10(12,13)14)16-5(17)3-11/h3H2,1-2H3,(H,15,19)(H,16,17)/t9-/m0/s1