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

Systemtic Name: ethyl 6-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(4,4,7-triethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4,4,7-triethylthiochroman-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(CCS2)(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)OCC)C(CCS2)(CC)CC

InChI

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