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

Systemtic Name: ethyl 3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(O3)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(O3)C4=CC=CC=C4C

InChI

InChI=1S/C21H18N2O4S/c1-3-25-20(24)18-16(15-10-6-7-11-17(15)26-18)12-28-21-23-22-19(27-21)14-9-5-4-8-13(14)2/h4-11H,3,12H2,1-2H3