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

Systemtic Name: [6-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl] butanoate Openeye Name: [6-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]-3-pyridyl] butanoate CAS Name: butanoic acid [6-[2-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl] butanoate Traditional Name: butyric acid [6-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]-3-pyridyl] ester Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CN=C(C=C1)C#CC2=CC3=C(C=C2C)SCCC3(C)C

Isomeric SMILES

CCCC(=O)OC1=CN=C(C=C1)C#CC2=CC3=C(C=C2C)SCCC3(C)C

InChI

InChI=1S/C23H25NO2S/c1-5-6-22(25)26-19-10-9-18(24-15-19)8-7-17-14-20-21(13-16(17)2)27-12-11-23(20,3)4/h9-10,13-15H,5-6,11-12H2,1-4H3