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

Systemtic Name: [5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl] butanoate Openeye Name: [5-[2-(7-hexyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-furyl] butanoate CAS Name: butanoic acid [5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl] ester IUPAC Name: [5-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl] butanoate Traditional Name: butyric acid [5-[2-(7-hexyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-furyl] ester Formula: C27H34O3S MolecularWeight: 438.62206

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)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34O3S/c1-5-7-8-9-11-20-19-24-23(27(3,4)16-17-31-24)18-21(20)12-13-22-14-15-26(29-22)30-25(28)10-6-2/h14-15,18-19H,5-11,16-17H2,1-4H3