methyl 8-methyl-4-oxidanylidene-2,3-dihydrothiochromene-7-carboxylate

Systemtic Name: methyl 8-methyl-4-oxidanylidene-2,3-dihydrothiochromene-7-carboxylate Openeye Name: methyl 8-methyl-4-oxo-thiochromane-7-carboxylate CAS Name: 8-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-7-carboxylic acid methyl ester IUPAC Name: methyl 8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate Traditional Name: 4-keto-8-methyl-thiochroman-7-carboxylic acid methyl ester Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1SCCC2=O)C(=O)OC

Isomeric SMILES

CC1=C(C=CC2=C1SCCC2=O)C(=O)OC

InChI

InChI=1S/C12H12O3S/c1-7-8(12(14)15-2)3-4-9-10(13)5-6-16-11(7)9/h3-4H,5-6H2,1-2H3