methyl 5-methyl-4-oxidanylidene-2,3,7,8-tetrahydrothiochromene-6-carboxylate

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2,3,7,8-tetrahydrothiochromene-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-2,3,7,8-tetrahydrothiochromene-6-carboxylate CAS Name: 5-methyl-4-oxo-2,3,7,8-tetrahydro-1-benzothiopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-oxo-2,3,7,8-tetrahydrothiochromene-6-carboxylate Traditional Name: 4-keto-5-methyl-2,3,7,8-tetrahydrothiochromene-6-carboxylic acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCC2=C1C(=O)CCS2)C(=O)OC

Isomeric SMILES

CC1=C(CCC2=C1C(=O)CCS2)C(=O)OC

InChI

InChI=1S/C12H14O3S/c1-7-8(12(14)15-2)3-4-10-11(7)9(13)5-6-16-10/h3-6H2,1-2H3