methyl 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonyl-methyl-amino]butanoate

Systemtic Name: methyl 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonyl-methyl-amino]butanoate Openeye Name: methyl 4-[[1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]-methyl-amino]butanoate CAS Name: 4-[[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-oxomethyl]-methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]-methylamino]butanoate Traditional Name: 4-[[1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]-methyl-amino]butyric acid methyl ester Formula: C19H19FN4O3S MolecularWeight: 402.442563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)C(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC(=CC=C3)F

Isomeric SMILES

CN(CCCC(=O)OC)C(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC(=CC=C3)F

InChI

InChI=1S/C19H19FN4O3S/c1-23(10-4-9-16(25)27-2)19(26)17-21-18(15-8-5-11-28-15)24(22-17)14-7-3-6-13(20)12-14/h3,5-8,11-12H,4,9-10H2,1-2H3