7-methyl-3,4-dihydro-1H-isothiochromene-1-carboxylic acid

Systemtic Name: 7-methyl-3,4-dihydro-1H-isothiochromene-1-carboxylic acid Openeye Name: 7-methylisothiochromane-1-carboxylic acid CAS Name: 7-methyl-3,4-dihydro-1H-2-benzothiopyran-1-carboxylic acid IUPAC Name: 7-methyl-3,4-dihydro-1H-isothiochromene-1-carboxylic acid Traditional Name: 7-methylisothiochroman-1-carboxylic acid Formula: C11H12O2S MolecularWeight: 208.27678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCSC2C(=O)O)C=C1

Isomeric SMILES

CC1=CC2=C(CCSC2C(=O)O)C=C1

InChI

InChI=1S/C11H12O2S/c1-7-2-3-8-4-5-14-10(11(12)13)9(8)6-7/h2-3,6,10H,4-5H2,1H3,(H,12,13)