2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoate

Systemtic Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoate Openeye Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]pyrazin-2-yl]acetate CAS Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]-2-pyrazinyl]acetate IUPAC Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyrazin-2-yl]acetate Traditional Name: 2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]pyrazin-2-yl]acetate Formula: C27H33N2O2S- MolecularWeight: 449.62812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CN=C(C=N3)CC(=O)[O-])C(CC(S2)(C)C)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CN=C(C=N3)CC(=O)[O-])C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C27H34N2O2S/c1-6-7-8-9-10-19-14-24-23(26(2,3)18-27(4,5)32-24)13-20(19)11-12-21-16-29-22(17-28-21)15-25(30)31/h13-14,16-17H,6-10,15,18H2,1-5H3,(H,30,31)/p-1