ethyl 6-[2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2C)SC(CC3(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2C)SC(CC3(C)C)(C)C

InChI

InChI=1S/C24H27NO2S/c1-7-27-22(26)18-9-11-19(25-14-18)10-8-17-13-20-21(12-16(17)2)28-24(5,6)15-23(20,3)4/h9,11-14H,7,15H2,1-6H3