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

Systemtic Name: ethyl 3-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]propanoate Openeye Name: ethyl 3-[4-[2-(4,4-diethylthiochroman-6-yl)ethynyl]phenyl]propanoate CAS Name: 3-[4-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]propanoate Traditional Name: 3-[4-[2-(4,4-diethylthiochroman-6-yl)ethynyl]phenyl]propionic acid ethyl ester Formula: C26H30O2S MolecularWeight: 406.5802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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