[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC2=NC(=NO2)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC2=NC(=NO2)C3=CC=CC=C3C

InChI

InChI=1S/C20H20N2O3S/c1-14-7-9-16(10-8-14)26-12-11-19(23)24-13-18-21-20(22-25-18)17-6-4-3-5-15(17)2/h3-10H,11-13H2,1-2H3