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

Systemtic Name: ethyl 6-[2-(4,4-diethyl-7-propyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4,4-diethyl-7-propyl-thiochroman-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(4,4-diethyl-7-propyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4,4-diethyl-7-propyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4,4-diethyl-7-propyl-thiochroman-6-yl)ethynyl]nicotinic acid ethyl ester Formula: C26H31NO2S MolecularWeight: 421.59484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)OCC)C(CCS2)(CC)CC

Isomeric SMILES

CCCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)OCC)C(CCS2)(CC)CC

InChI

InChI=1S/C26H31NO2S/c1-5-9-19-17-24-23(26(6-2,7-3)14-15-30-24)16-20(19)10-12-22-13-11-21(18-27-22)25(28)29-8-4/h11,13,16-18H,5-9,14-15H2,1-4H3