5,8-dimethyl-3,4-dihydro-2H-thiochromene-4-carboxylic acid

Systemtic Name: 5,8-dimethyl-3,4-dihydro-2H-thiochromene-4-carboxylic acid Openeye Name: 5,8-dimethylthiochromane-4-carboxylic acid CAS Name: 5,8-dimethyl-3,4-dihydro-2H-1-benzothiopyran-4-carboxylic acid IUPAC Name: 5,8-dimethyl-3,4-dihydro-2H-thiochromene-4-carboxylic acid Traditional Name: 5,8-dimethylthiochroman-4-carboxylic acid Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CCSC2=C(C=C1)C)C(=O)O

Isomeric SMILES

CC1=C2C(CCSC2=C(C=C1)C)C(=O)O

InChI

InChI=1S/C12H14O2S/c1-7-3-4-8(2)11-10(7)9(12(13)14)5-6-15-11/h3-4,9H,5-6H2,1-2H3,(H,13,14)