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

Systemtic Name: 2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl pyridine-3-carboxylate Openeye Name: 2-(7-ethyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(7-ethyl-2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(7-ethyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl ester Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#COC(=O)C3=CN=CC=C3)C(CC(S2)(C)C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#COC(=O)C3=CN=CC=C3)C(CC(S2)(C)C)(C)C

InChI

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