ethyl 5-[3-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]pentanoate

Systemtic Name: ethyl 5-[3-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]pentanoate Openeye Name: ethyl 5-[3-[2-(4,4-diethylthiochroman-6-yl)ethynyl]-2-furyl]pentanoate CAS Name: 5-[3-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[3-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]pentanoate Traditional Name: 5-[3-[2-(4,4-diethylthiochroman-6-yl)ethynyl]-2-furyl]valeric acid ethyl ester Formula: C26H32O3S MolecularWeight: 424.59548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C=C2)C#CC3=C(OC=C3)CCCCC(=O)OCC)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C=C2)C#CC3=C(OC=C3)CCCCC(=O)OCC)CC

InChI

InChI=1S/C26H32O3S/c1-4-26(5-2)16-18-30-24-14-12-20(19-22(24)26)11-13-21-15-17-29-23(21)9-7-8-10-25(27)28-6-3/h12,14-15,17,19H,4-10,16,18H2,1-3H3