2-(2,2,4,4-tetramethyl-7-propyl-3H-thiochromen-6-yl)ethynyl pyridine-3-carboxylate

Systemtic Name: 2-(2,2,4,4-tetramethyl-7-propyl-3H-thiochromen-6-yl)ethynyl pyridine-3-carboxylate Openeye Name: 2-(2,2,4,4-tetramethyl-7-propyl-thiochroman-6-yl)ethynyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(2,2,4,4-tetramethyl-7-propyl-3H-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(2,2,4,4-tetramethyl-7-propyl-3H-thiochromen-6-yl)ethynyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(2,2,4,4-tetramethyl-7-propyl-thiochroman-6-yl)ethynyl ester Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C#COC(=O)C3=CN=CC=C3)C(CC(S2)(C)C)(C)C

Isomeric SMILES

CCCC1=CC2=C(C=C1C#COC(=O)C3=CN=CC=C3)C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C24H27NO2S/c1-6-8-17-14-21-20(23(2,3)16-24(4,5)28-21)13-18(17)10-12-27-22(26)19-9-7-11-25-15-19/h7,9,11,13-15H,6,8,16H2,1-5H3