7-(2-methylpropyl)-3,4-dihydro-1H-isothiochromene-1-carboxylic acid

Systemtic Name: 7-(2-methylpropyl)-3,4-dihydro-1H-isothiochromene-1-carboxylic acid Openeye Name: 7-isobutylisothiochromane-1-carboxylic acid CAS Name: 7-(2-methylpropyl)-3,4-dihydro-1H-2-benzothiopyran-1-carboxylic acid IUPAC Name: 7-(2-methylpropyl)-3,4-dihydro-1H-isothiochromene-1-carboxylic acid Traditional Name: 7-isobutylisothiochroman-1-carboxylic acid Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O2S/c1-9(2)7-10-3-4-11-5-6-17-13(14(15)16)12(11)8-10/h3-4,8-9,13H,5-7H2,1-2H3,(H,15,16)