methyl 5,8-dimethyl-4-oxidanylidene-2,3-dihydrothiochromene-6-carboxylate

Systemtic Name: methyl 5,8-dimethyl-4-oxidanylidene-2,3-dihydrothiochromene-6-carboxylate Openeye Name: methyl 5,8-dimethyl-4-oxo-thiochromane-6-carboxylate CAS Name: 5,8-dimethyl-4-oxo-2,3-dihydro-1-benzothiopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 5,8-dimethyl-4-oxo-2,3-dihydrothiochromene-6-carboxylate Traditional Name: 4-keto-5,8-dimethyl-thiochroman-6-carboxylic acid methyl ester Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3S/c1-7-6-9(13(15)16-3)8(2)11-10(14)4-5-17-12(7)11/h6H,4-5H2,1-3H3