[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl] butanoate

Systemtic Name: [6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl] butanoate Openeye Name: [6-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-3-pyridyl] butanoate CAS Name: butanoic acid [6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl] butanoate Traditional Name: butyric acid [6-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-3-pyridyl] ester Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CN=C(C=C1)C#CC2=CC3=C(C=C2CC)SCCC3(C)C

Isomeric SMILES

CCCC(=O)OC1=CN=C(C=C1)C#CC2=CC3=C(C=C2CC)SCCC3(C)C

InChI

InChI=1S/C24H27NO2S/c1-5-7-23(26)27-20-11-10-19(25-16-20)9-8-18-14-21-22(15-17(18)6-2)28-13-12-24(21,3)4/h10-11,14-16H,5-7,12-13H2,1-4H3