ethyl 5-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]pentanoate

Systemtic Name: ethyl 5-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]pentanoate Openeye Name: ethyl 5-[4-[2-(4,4-diethylthiochroman-6-yl)ethynyl]phenyl]pentanoate CAS Name: 5-[4-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]pentanoate Traditional Name: 5-[4-[2-(4,4-diethylthiochroman-6-yl)ethynyl]phenyl]valeric acid ethyl ester Formula: C28H34O2S MolecularWeight: 434.63336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34O2S/c1-4-28(5-2)19-20-31-26-18-17-24(21-25(26)28)16-15-23-13-11-22(12-14-23)9-7-8-10-27(29)30-6-3/h11-14,17-18,21H,4-10,19-20H2,1-3H3