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

Systemtic Name: [6-[2-(4,4-diethyl-2,3-dihydrothiochromen-2-yl)ethynyl]pyridin-3-yl] propanoate Openeye Name: [6-[2-(4,4-diethylthiochroman-2-yl)ethynyl]-3-pyridyl] propanoate CAS Name: propanoic acid [6-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-2-yl)ethynyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4,4-diethyl-2,3-dihydrothiochromen-2-yl)ethynyl]pyridin-3-yl] propanoate Traditional Name: propionic acid [6-[2-(4,4-diethylthiochroman-2-yl)ethynyl]-3-pyridyl] ester Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CN=C(C=C1)C#CC2CC(C3=CC=CC=C3S2)(CC)CC

Isomeric SMILES

CCC(=O)OC1=CN=C(C=C1)C#CC2CC(C3=CC=CC=C3S2)(CC)CC

InChI

InChI=1S/C23H25NO2S/c1-4-22(25)26-18-13-11-17(24-16-18)12-14-19-15-23(5-2,6-3)20-9-7-8-10-21(20)27-19/h7-11,13,16,19H,4-6,15H2,1-3H3