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

Systemtic Name: methyl 2-methyl-4-methylsulfonyl-3-(1,2-oxazol-3-yl)benzoate Openeye Name: methyl 3-isoxazol-3-yl-2-methyl-4-methylsulfonyl-benzoate CAS Name: 3-(3-isoxazolyl)-2-methyl-4-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-methyl-4-methylsulfonyl-3-(1,2-oxazol-3-yl)benzoate Traditional Name: 3-isoxazol-3-yl-4-mesyl-2-methyl-benzoic acid methyl ester Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOC=C2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOC=C2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C13H13NO5S/c1-8-9(13(15)18-2)4-5-11(20(3,16)17)12(8)10-6-7-19-14-10/h4-7H,1-3H3