8-methyl-4-propan-2-yloxy-3,4-dihydro-2H-thiochromene-7-carboxylic acid

Systemtic Name: 8-methyl-4-propan-2-yloxy-3,4-dihydro-2H-thiochromene-7-carboxylic acid Openeye Name: 4-isopropoxy-8-methyl-thiochromane-7-carboxylic acid CAS Name: 8-methyl-4-propan-2-yloxy-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid IUPAC Name: 8-methyl-4-propan-2-yloxy-3,4-dihydro-2H-thiochromene-7-carboxylic acid Traditional Name: 4-isopropoxy-8-methyl-thiochroman-7-carboxylic acid Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1SCCC2OC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1SCCC2OC(C)C)C(=O)O

InChI

InChI=1S/C14H18O3S/c1-8(2)17-12-6-7-18-13-9(3)10(14(15)16)4-5-11(12)13/h4-5,8,12H,6-7H2,1-3H3,(H,15,16)