methyl 2-chloranyl-4-methylsulfonyl-3-(2-oxidanylidene-1,3,4-oxathiazol-5-yl)benzoate

Systemtic Name: methyl 2-chloranyl-4-methylsulfonyl-3-(2-oxidanylidene-1,3,4-oxathiazol-5-yl)benzoate Openeye Name: methyl 2-chloro-4-methylsulfonyl-3-(2-oxo-1,3,4-oxathiazol-5-yl)benzoate CAS Name: 2-chloro-4-methylsulfonyl-3-(2-oxo-1,3,4-oxathiazol-5-yl)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-methylsulfonyl-3-(2-oxo-1,3,4-oxathiazol-5-yl)benzoate Traditional Name: 2-chloro-3-(2-keto-1,3,4-oxathiazol-5-yl)-4-mesyl-benzoic acid methyl ester Formula: C11H8ClNO6S2 MolecularWeight: 349.76732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C2=NSC(=O)O2)Cl

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C2=NSC(=O)O2)Cl

InChI

InChI=1S/C11H8ClNO6S2/c1-18-10(14)5-3-4-6(21(2,16)17)7(8(5)12)9-13-20-11(15)19-9/h3-4H,1-2H3