ethyl 2-methyl-6-methylsulfonyl-3-(3-oxidanylidenethian-2-yl)carbonyl-benzoate

Systemtic Name: ethyl 2-methyl-6-methylsulfonyl-3-(3-oxidanylidenethian-2-yl)carbonyl-benzoate Openeye Name: ethyl 2-methyl-6-methylsulfonyl-3-(3-oxotetrahydrothiopyran-2-carbonyl)benzoate CAS Name: 2-methyl-6-methylsulfonyl-3-[oxo-(3-oxo-2-thianyl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-methyl-6-methylsulfonyl-3-(3-oxothiane-2-carbonyl)benzoate Traditional Name: 3-(3-ketotetrahydrothiopyran-2-carbonyl)-6-mesyl-2-methyl-benzoic acid ethyl ester Formula: C17H20O6S2 MolecularWeight: 384.4671

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1C)C(=O)C2C(=O)CCCS2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1C)C(=O)C2C(=O)CCCS2)S(=O)(=O)C

InChI

InChI=1S/C17H20O6S2/c1-4-23-17(20)14-10(2)11(7-8-13(14)25(3,21)22)15(19)16-12(18)6-5-9-24-16/h7-8,16H,4-6,9H2,1-3H3