ethyl 2-[4-[2-(4,4-dimethyl-7-pentyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[2-(4,4-dimethyl-7-pentyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: ethyl 2-[4-[2-(4,4-dimethyl-7-pentyl-thiochroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[4-[2-(4,4-dimethyl-7-pentyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(4,4-dimethyl-7-pentyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[4-[2-(7-amyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]phenyl]acetic acid ethyl ester Formula: C28H34O2S MolecularWeight: 434.63336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CC(=O)OCC)C(CCS2)(C)C

Isomeric SMILES

CCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CC(=O)OCC)C(CCS2)(C)C

InChI

InChI=1S/C28H34O2S/c1-5-7-8-9-23-20-26-25(28(3,4)16-17-31-26)19-24(23)15-14-21-10-12-22(13-11-21)18-27(29)30-6-2/h10-13,19-20H,5-9,16-18H2,1-4H3