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

Systemtic Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-phenyl-butanoic acid Openeye Name: 2-(4,4-dimethylthiochroman-6-yl)-4-phenyl-butanoic acid CAS Name: 2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-4-phenylbutanoic acid IUPAC Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-phenylbutanoic acid Traditional Name: 2-(4,4-dimethylthiochroman-6-yl)-4-phenyl-butyric acid Formula: C21H24O2S MolecularWeight: 340.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(CCC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(CCC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C21H24O2S/c1-21(2)12-13-24-19-11-9-16(14-18(19)21)17(20(22)23)10-8-15-6-4-3-5-7-15/h3-7,9,11,14,17H,8,10,12-13H2,1-2H3,(H,22,23)