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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3)C

InChI

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