methyl 6-methyl-4-oxidanyl-3,4-dihydro-2H-thiochromene-7-carboxylate

Systemtic Name: methyl 6-methyl-4-oxidanyl-3,4-dihydro-2H-thiochromene-7-carboxylate Openeye Name: methyl 4-hydroxy-6-methyl-thiochromane-7-carboxylate CAS Name: 4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid methyl ester IUPAC Name: methyl 4-hydroxy-6-methyl-3,4-dihydro-2H-thiochromene-7-carboxylate Traditional Name: 4-hydroxy-6-methyl-thiochroman-7-carboxylic acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)OC)SCCC2O

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)OC)SCCC2O

InChI

InChI=1S/C12H14O3S/c1-7-5-9-10(13)3-4-16-11(9)6-8(7)12(14)15-2/h5-6,10,13H,3-4H2,1-2H3