[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl] butanoate

Systemtic Name: [5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl] butanoate Openeye Name: [5-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]-2-furyl] butanoate CAS Name: butanoic acid [5-[2-(4,4-diethyl-7-hexyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl] ester IUPAC Name: [5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl] butanoate Traditional Name: butyric acid [5-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]-2-furyl] ester Formula: C29H38O3S MolecularWeight: 466.67522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(O3)OC(=O)CCC)C(CCS2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(O3)OC(=O)CCC)C(CCS2)(CC)CC

InChI

InChI=1S/C29H38O3S/c1-5-9-10-11-13-22-21-26-25(29(7-3,8-4)18-19-33-26)20-23(22)14-15-24-16-17-28(31-24)32-27(30)12-6-2/h16-17,20-21H,5-13,18-19H2,1-4H3