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

Systemtic Name: ethyl 2-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: ethyl 2-[4-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[4-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]phenyl]acetic acid ethyl ester Formula: C31H40O2S MolecularWeight: 476.7131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CC(=O)OCC)C(CCS2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CC(=O)OCC)C(CCS2)(CC)CC

InChI

InChI=1S/C31H40O2S/c1-5-9-10-11-12-26-23-29-28(31(6-2,7-3)19-20-34-29)22-27(26)18-17-24-13-15-25(16-14-24)21-30(32)33-8-4/h13-16,22-23H,5-12,19-21H2,1-4H3