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

Systemtic Name: ethyl 2-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: ethyl 2-[4-[2-(4,4-diethylthiochroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[4-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[4-[2-(4,4-diethylthiochroman-6-yl)ethynyl]phenyl]acetic acid ethyl ester Formula: C25H28O2S MolecularWeight: 392.55362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O2S/c1-4-25(5-2)15-16-28-23-14-13-20(17-22(23)25)10-7-19-8-11-21(12-9-19)18-24(26)27-6-3/h8-9,11-14,17H,4-6,15-16,18H2,1-3H3