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

Systemtic Name: methyl 5-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfanyl-benzoate Openeye Name: methyl 5-chloro-3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfanyl-benzoate CAS Name: 5-chloro-3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 5-chloro-3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfanylbenzoate Traditional Name: 5-chloro-3-(2-isoxazolin-3-yl)-2-methyl-4-(methylthio)benzoic acid methyl ester Formula: C13H14ClNO3S MolecularWeight: 299.77316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)OC)Cl)SC)C2=NOCC2

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)OC)Cl)SC)C2=NOCC2

InChI

InChI=1S/C13H14ClNO3S/c1-7-8(13(16)17-2)6-9(14)12(19-3)11(7)10-4-5-18-15-10/h6H,4-5H2,1-3H3