methyl 8-(bromomethyl)-4,4-dimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromene-7-carboxylate

Systemtic Name: methyl 8-(bromomethyl)-4,4-dimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromene-7-carboxylate Openeye Name: methyl 8-(bromomethyl)-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromene-7-carboxylate CAS Name: 8-(bromomethyl)-4,4-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiopyran-7-carboxylic acid methyl ester IUPAC Name: methyl 8-(bromomethyl)-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromene-7-carboxylate Traditional Name: 8-(bromomethyl)-1,1-diketo-4,4-dimethyl-2,3-dihydrothiochromene-7-carboxylic acid methyl ester Formula: C14H17BrO4S MolecularWeight: 361.25138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C2=C1C=CC(=C2CBr)C(=O)OC)C

Isomeric SMILES

CC1(CCS(=O)(=O)C2=C1C=CC(=C2CBr)C(=O)OC)C

InChI

InChI=1S/C14H17BrO4S/c1-14(2)6-7-20(17,18)12-10(8-15)9(13(16)19-3)4-5-11(12)14/h4-5H,6-8H2,1-3H3