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

Systemtic Name: ethyl 3-[[4-(3-methoxypropyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-keto-4-(3-methoxypropyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NNC(=O)N3CCCOC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NNC(=O)N3CCCOC

InChI

InChI=1S/C18H21N3O5S/c1-3-25-16(22)15-13(12-7-4-5-8-14(12)26-15)11-27-18-20-19-17(23)21(18)9-6-10-24-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,19,23)