ethyl 6-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(4,4-diethyl-7-hexyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]nicotinic acid ethyl ester Formula: C29H37NO2S MolecularWeight: 463.67458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)OCC)C(CCS2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)OCC)C(CCS2)(CC)CC

InChI

InChI=1S/C29H37NO2S/c1-5-9-10-11-12-22-20-27-26(29(6-2,7-3)17-18-33-27)19-23(22)13-15-25-16-14-24(21-30-25)28(31)32-8-4/h14,16,19-21H,5-12,17-18H2,1-4H3