methyl 3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfanyl-benzoate

Systemtic Name: methyl 3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfanyl-benzoate Openeye Name: methyl 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfanyl-benzoate CAS Name: 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfanylbenzoate Traditional Name: 3-(2-isoxazolin-3-yl)-2-methyl-4-(methylthio)benzoic acid methyl ester Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOCC2)SC)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOCC2)SC)C(=O)OC

InChI

InChI=1S/C13H15NO3S/c1-8-9(13(15)16-2)4-5-11(18-3)12(8)10-6-7-17-14-10/h4-5H,6-7H2,1-3H3