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

Systemtic Name: 2-(3,4-dihydro-2H-thiochromen-4-yl)propanoic acid Openeye Name: 2-thiochroman-4-ylpropanoic acid CAS Name: 2-(3,4-dihydro-2H-1-benzothiopyran-4-yl)propanoic acid IUPAC Name: 2-(3,4-dihydro-2H-thiochromen-4-yl)propanoic acid Traditional Name: 2-thiochroman-4-ylpropionic acid Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O2S/c1-8(12(13)14)9-6-7-15-11-5-3-2-4-10(9)11/h2-5,8-9H,6-7H2,1H3,(H,13,14)