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

Systemtic Name: methyl 2-methyl-4-methylsulfanyl-3-(1,2-oxazol-5-yl)benzoate Openeye Name: methyl 3-isoxazol-5-yl-2-methyl-4-methylsulfanyl-benzoate CAS Name: 3-(5-isoxazolyl)-2-methyl-4-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-4-methylsulfanyl-3-(1,2-oxazol-5-yl)benzoate Traditional Name: 3-isoxazol-5-yl-2-methyl-4-(methylthio)benzoic acid methyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=CC=NO2)SC)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1C2=CC=NO2)SC)C(=O)OC

InChI

InChI=1S/C13H13NO3S/c1-8-9(13(15)16-2)4-5-11(18-3)12(8)10-6-7-14-17-10/h4-7H,1-3H3