ethyl 2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 2-(1,1,4,4,7-pentamethyltetralin-6-yl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(1,1,4,4,7-pentamethyltetralin-6-yl)thio]nicotinic acid ethyl ester Formula: C23H29NO2S MolecularWeight: 383.54686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SC2=C(C=C3C(=C2)C(CCC3(C)C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SC2=C(C=C3C(=C2)C(CCC3(C)C)(C)C)C

InChI

InChI=1S/C23H29NO2S/c1-7-26-21(25)16-9-8-12-24-20(16)27-19-14-18-17(13-15(19)2)22(3,4)10-11-23(18,5)6/h8-9,12-14H,7,10-11H2,1-6H3