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

Systemtic Name: methyl 3,6-dimethyl-1,1-bis(oxidanylidene)-4H-thiochromene-7-carboxylate Openeye Name: methyl 3,6-dimethyl-1,1-dioxo-4H-thiochromene-7-carboxylate CAS Name: 3,6-dimethyl-1,1-dioxo-4H-1-benzothiopyran-7-carboxylic acid methyl ester IUPAC Name: methyl 3,6-dimethyl-1,1-dioxo-4H-thiochromene-7-carboxylate Traditional Name: 1,1-diketo-3,6-dimethyl-4H-thiochromene-7-carboxylic acid methyl ester Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CS(=O)(=O)C2=C(C1)C=C(C(=C2)C(=O)OC)C

Isomeric SMILES

CC1=CS(=O)(=O)C2=C(C1)C=C(C(=C2)C(=O)OC)C

InChI

InChI=1S/C13H14O4S/c1-8-4-10-5-9(2)11(13(14)17-3)6-12(10)18(15,16)7-8/h5-7H,4H2,1-3H3