S-methyl 3-(4,5-dihydro-1,2-oxazol-3-yl)-2,4-dimethyl-benzenecarbothioate

Systemtic Name: S-methyl 3-(4,5-dihydro-1,2-oxazol-3-yl)-2,4-dimethyl-benzenecarbothioate Openeye Name: S-methyl 3-(4,5-dihydroisoxazol-3-yl)-2,4-dimethyl-benzenecarbothioate CAS Name: 3-(4,5-dihydroisoxazol-3-yl)-2,4-dimethylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 3-(4,5-dihydro-1,2-oxazol-3-yl)-2,4-dimethylbenzenecarbothioate Traditional Name: 3-(2-isoxazolin-3-yl)-2,4-dimethyl-thiobenzoic acid S-methyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)SC)C)C2=NOCC2

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)SC)C)C2=NOCC2

InChI

InChI=1S/C13H15NO2S/c1-8-4-5-10(13(15)17-3)9(2)12(8)11-6-7-16-14-11/h4-5H,6-7H2,1-3H3