methyl 3,6-dimethyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromene-7-carboxylate

Systemtic Name: methyl 3,6-dimethyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromene-7-carboxylate Openeye Name: methyl 3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carboxylate CAS Name: 3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid methyl ester IUPAC Name: methyl 3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carboxylate Traditional Name: 1,1-diketo-3,6-dimethyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid methyl ester Formula: C13H16O4S MolecularWeight: 268.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C(=C2)C)C(=O)OC)S(=O)(=O)C1

Isomeric SMILES

CC1CC2=C(C=C(C(=C2)C)C(=O)OC)S(=O)(=O)C1

InChI

InChI=1S/C13H16O4S/c1-8-4-10-5-9(2)11(13(14)17-3)6-12(10)18(15,16)7-8/h5-6,8H,4,7H2,1-3H3