[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H20N2O4S/c1-14-3-5-16(6-4-14)21-22-19(27-23-21)13-26-20(25)12-11-18(24)15-7-9-17(28-2)10-8-15/h3-10H,11-13H2,1-2H3