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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CN=C(C=C1)C#CC2CC(C3=CC=CC=C3S2)(C)C

Isomeric SMILES

CCOC(=O)CCC1=CN=C(C=C1)C#CC2CC(C3=CC=CC=C3S2)(C)C

InChI

InChI=1S/C23H25NO2S/c1-4-26-22(25)14-10-17-9-11-18(24-16-17)12-13-19-15-23(2,3)20-7-5-6-8-21(20)27-19/h5-9,11,16,19H,4,10,14-15H2,1-3H3