(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-13-8-9-16(14(2)10-13)25-12-18(22)23-11-17-20-19(21-24-17)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3