2-(3,4-dihydro-2H-thiochromen-4-yl)-2-methyl-propanoic acid

Systemtic Name: 2-(3,4-dihydro-2H-thiochromen-4-yl)-2-methyl-propanoic acid Openeye Name: 2-methyl-2-thiochroman-4-yl-propanoic acid CAS Name: 2-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-methylpropanoic acid IUPAC Name: 2-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylpropanoic acid Traditional Name: 2-methyl-2-thiochroman-4-yl-propionic acid Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCSC2=CC=CC=C12)C(=O)O

Isomeric SMILES

CC(C)(C1CCSC2=CC=CC=C12)C(=O)O

InChI

InChI=1S/C13H16O2S/c1-13(2,12(14)15)10-7-8-16-11-6-4-3-5-9(10)11/h3-6,10H,7-8H2,1-2H3,(H,14,15)