dimethyl 3-[4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[oxo-[4-(trifluoromethylthio)anilino]methyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[4-(trifluoromethylthio)phenyl]carbamoylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C18H19F3N4O5S MolecularWeight: 460.42747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)NC2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)NC2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C18H19F3N4O5S/c1-29-15(26)7-13(8-16(27)30-2)25-10-12(9-22-25)24-17(28)23-11-3-5-14(6-4-11)31-18(19,20)21/h3-6,9-10,13H,7-8H2,1-2H3,(H2,23,24,28)