(3-ethoxycarbonylfuran-2-yl)methyl 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: (3-ethoxycarbonylfuran-2-yl)methyl 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (3-ethoxycarbonyl-2-furyl)methyl 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid (3-ethoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (3-ethoxycarbonylfuran-2-yl)methyl 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid (3-carbethoxy-2-furyl)methyl ester Formula: C21H16FN3O5S MolecularWeight: 441.432243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3O5S/c1-2-28-20(26)15-9-10-29-16(15)12-30-21(27)18-23-19(17-4-3-11-31-17)25(24-18)14-7-5-13(22)6-8-14/h3-11H,2,12H2,1H3