methyl 6-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]hexanoate CAS Name: 6-[[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]amino]hexanoate Traditional Name: 6-[[1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]hexanoic acid methyl ester Formula: C20H21FN4O3S MolecularWeight: 416.469143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O3S/c1-28-17(26)7-3-2-4-12-22-20(27)18-23-19(16-6-5-13-29-16)25(24-18)15-10-8-14(21)9-11-15/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,22,27)