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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C18H17FN4O3S/c1-11-20-17(22-23(11)13-7-5-12(19)6-8-13)18(25)21-14(10-16(24)26-2)15-4-3-9-27-15/h3-9,14H,10H2,1-2H3,(H,21,25)