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

Systemtic Name: methyl 2-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]-2-methyl-propanoate CAS Name: 2-[[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]amino]-2-methylpropanoate Traditional Name: 2-[[1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]-2-methyl-propionic acid methyl ester Formula: C18H17FN4O3S MolecularWeight: 388.415983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN4O3S/c1-18(2,17(25)26-3)21-16(24)14-20-15(13-5-4-10-27-13)23(22-14)12-8-6-11(19)7-9-12/h4-10H,1-3H3,(H,21,24)