ethyl 3-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-2-yl)ethynyl]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-2-yl)ethynyl]phenyl]propanoate Openeye Name: ethyl 3-[4-[2-(4,4-diethylthiochroman-2-yl)ethynyl]phenyl]propanoate CAS Name: 3-[4-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-2-yl)ethynyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-2-yl)ethynyl]phenyl]propanoate Traditional Name: 3-[4-[2-(4,4-diethylthiochroman-2-yl)ethynyl]phenyl]propionic acid ethyl ester Formula: C26H30O2S MolecularWeight: 406.5802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(SC2=CC=CC=C21)C#CC3=CC=C(C=C3)CCC(=O)OCC)CC

Isomeric SMILES

CCC1(CC(SC2=CC=CC=C21)C#CC3=CC=C(C=C3)CCC(=O)OCC)CC

InChI

InChI=1S/C26H30O2S/c1-4-26(5-2)19-22(29-24-10-8-7-9-23(24)26)17-15-20-11-13-21(14-12-20)16-18-25(27)28-6-3/h7-14,22H,4-6,16,18-19H2,1-3H3