methyl 6-methyl-1,1-bis(oxidanylidene)-2H-thiochromene-7-carboxylate

Systemtic Name: methyl 6-methyl-1,1-bis(oxidanylidene)-2H-thiochromene-7-carboxylate Openeye Name: methyl 6-methyl-1,1-dioxo-2H-thiochromene-7-carboxylate CAS Name: 6-methyl-1,1-dioxo-2H-1-benzothiopyran-7-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-1,1-dioxo-2H-thiochromene-7-carboxylate Traditional Name: 1,1-diketo-6-methyl-2H-thiochromene-7-carboxylic acid methyl ester Formula: C12H12O4S MolecularWeight: 252.28628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=CCS2(=O)=O)C(=O)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)C=CCS2(=O)=O)C(=O)OC

InChI

InChI=1S/C12H12O4S/c1-8-6-9-4-3-5-17(14,15)11(9)7-10(8)12(13)16-2/h3-4,6-7H,5H2,1-2H3