(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S/c1-27-16-9-7-14(8-10-16)17(23)11-12-19(24)25-13-18-21-22-20(26-18)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3