(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-2-benzofurancarboxylic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(benzylthio)methyl]coumarilic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)COC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(O1)COC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4S/c1-14-22-23-19(26-14)11-25-21(24)20-17(16-9-5-6-10-18(16)27-20)13-28-12-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3