methyl 2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-4-(sulfonylmethyl)benzoate

Systemtic Name: methyl 2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-4-(sulfonylmethyl)benzoate Openeye Name: methyl 2-chloro-3-(4,5-dihydroisoxazol-3-ylmethyl)-4-(sulfonylmethyl)benzoate CAS Name: 2-chloro-3-(4,5-dihydroisoxazol-3-ylmethyl)-4-(sulfonylmethyl)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-3-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-4-(sulfonylmethyl)benzoate Traditional Name: 2-chloro-3-(2-isoxazolin-3-ylmethyl)-4-(sulfonylmethyl)benzoic acid methyl ester Formula: C13H12ClNO5S MolecularWeight: 329.75608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)C=S(=O)=O)CC2=NOCC2)Cl

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)C=S(=O)=O)CC2=NOCC2)Cl

InChI

InChI=1S/C13H12ClNO5S/c1-19-13(16)10-3-2-8(7-21(17)18)11(12(10)14)6-9-4-5-20-15-9/h2-3,7H,4-6H2,1H3