(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N2O4S/c1-27-12-15-14-9-5-6-10-16(14)25-18(15)20(23)24-11-17-21-22-19(26-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3