ethyl 3-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]propanoate Openeye Name: ethyl 3-[4-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]phenyl]propanoate CAS Name: 3-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]propanoate Traditional Name: 3-[4-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]phenyl]propionic acid ethyl ester Formula: C32H42O2S MolecularWeight: 490.73968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CCC(=O)OCC)C(CCS2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CCC(=O)OCC)C(CCS2)(CC)CC

InChI

InChI=1S/C32H42O2S/c1-5-9-10-11-12-27-24-30-29(32(6-2,7-3)21-22-35-30)23-28(27)19-17-25-13-15-26(16-14-25)18-20-31(33)34-8-4/h13-16,23-24H,5-12,18,20-22H2,1-4H3