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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C2=C(S1)C=CC(=C2)C)C(=O)OC

Isomeric SMILES

CC1C(C(=O)C2=C(S1)C=CC(=C2)C)C(=O)OC

InChI

InChI=1S/C13H14O3S/c1-7-4-5-10-9(6-7)12(14)11(8(2)17-10)13(15)16-3/h4-6,8,11H,1-3H3