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

Systemtic Name: methyl 2-chloranyl-3-(4,5-dihydro-1,3-oxazol-2-yl)-4-methylsulfonyl-benzoate Openeye Name: methyl 2-chloro-3-(4,5-dihydrooxazol-2-yl)-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-(4,5-dihydrooxazol-2-yl)-4-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-chloro-3-(4,5-dihydro-1,3-oxazol-2-yl)-4-methylsulfonylbenzoate Traditional Name: 2-chloro-4-mesyl-3-(2-oxazolin-2-yl)benzoic acid methyl ester Formula: C12H12ClNO5S MolecularWeight: 317.74538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C2=NCCO2)Cl

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C2=NCCO2)Cl

InChI

InChI=1S/C12H12ClNO5S/c1-18-12(15)7-3-4-8(20(2,16)17)9(10(7)13)11-14-5-6-19-11/h3-4H,5-6H2,1-2H3