methyl (4S)-1-butyl-4-(cyclopropylcarbonylamino)-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-1-butyl-4-(cyclopropylcarbonylamino)-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-1-butyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-1-butyl-4-[[cyclopropyl(oxo)methyl]amino]-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-1-butyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-1-butyl-4-(cyclopropanecarbonylamino)-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C16H21F3N2O4 MolecularWeight: 362.34415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(C1=O)(C(F)(F)F)NC(=O)C2CC2)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C([C@](C1=O)(C(F)(F)F)NC(=O)C2CC2)C(=O)OC)C

InChI

InChI=1S/C16H21F3N2O4/c1-4-5-8-21-9(2)11(13(23)25-3)15(14(21)24,16(17,18)19)20-12(22)10-6-7-10/h10H,4-8H2,1-3H3,(H,20,22)/t15-/m0/s1