ethyl 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC)C4=CC=CC=C4OC

InChI

InChI=1S/C23H23N3O4S/c1-4-26-21(16-11-7-8-12-18(16)28-3)24-25-23(26)31-14-17-15-10-6-9-13-19(15)30-20(17)22(27)29-5-2/h6-13H,4-5,14H2,1-3H3