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

Systemtic Name: ethyl 6-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(7-ethyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(7-ethyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]nicotinic acid ethyl ester Formula: C25H29NO2S MolecularWeight: 407.56826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)OCC)C(CC(S2)(C)C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)OCC)C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C25H29NO2S/c1-7-17-14-22-21(24(3,4)16-25(5,6)29-22)13-18(17)9-11-20-12-10-19(15-26-20)23(27)28-8-2/h10,12-15H,7-8,16H2,1-6H3