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

Systemtic Name: (3-ethoxycarbonylfuran-2-yl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (3-ethoxycarbonyl-2-furyl)methyl 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-phenyl-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-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid (3-carbethoxy-2-furyl)methyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O5S/c1-2-27-20(25)15-10-11-28-16(15)13-29-21(26)18-22-19(17-9-6-12-30-17)24(23-18)14-7-4-3-5-8-14/h3-12H,2,13H2,1H3