2-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(4,4-diethylthiochroman-6-yl)ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(4,4-diethylthiochroman-6-yl)ethynyl]phenyl]acetic acid Formula: C23H24O2S MolecularWeight: 364.50046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)CC(=O)O)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)CC(=O)O)CC

InChI

InChI=1S/C23H24O2S/c1-3-23(4-2)13-14-26-21-12-11-18(15-20(21)23)8-5-17-6-9-19(10-7-17)16-22(24)25/h6-7,9-12,15H,3-4,13-14,16H2,1-2H3,(H,24,25)