[6-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridin-3-yl] ethanoate

Systemtic Name: [6-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridin-3-yl] ethanoate Openeye Name: [6-[2-(2,2,4,4-tetramethylthiochroman-6-yl)ethynyl]-3-pyridyl] acetate CAS Name: acetic acid [6-[2-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridin-3-yl] acetate Traditional Name: acetic acid [6-[2-(2,2,4,4-tetramethylthiochroman-6-yl)ethynyl]-3-pyridyl] ester Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3(C)C)(C)C

Isomeric SMILES

CC(=O)OC1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3(C)C)(C)C

InChI

InChI=1S/C22H23NO2S/c1-15(24)25-18-10-9-17(23-13-18)8-6-16-7-11-20-19(12-16)21(2,3)14-22(4,5)26-20/h7,9-13H,14H2,1-5H3