2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-phenyl-propanoic acid

Systemtic Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-phenyl-propanoic acid Openeye Name: 2-(4,4-dimethylthiochroman-6-yl)-3-phenyl-propanoic acid CAS Name: 2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-3-phenylpropanoic acid IUPAC Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-phenylpropanoic acid Traditional Name: 2-(4,4-dimethylthiochroman-6-yl)-3-phenyl-propionic acid Formula: C20H22O2S MolecularWeight: 326.45248

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C20H22O2S/c1-20(2)10-11-23-18-9-8-15(13-17(18)20)16(19(21)22)12-14-6-4-3-5-7-14/h3-9,13,16H,10-12H2,1-2H3,(H,21,22)