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

Systemtic Name: ethyl 3-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-benzyl-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)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(O3)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4S/c1-2-25-20(24)19-16(15-10-6-7-11-17(15)26-19)13-28-21-23-22-18(27-21)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3