2-[2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(7-ethyl-1,1,4,4-tetramethyl-tetralin-6-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(7-ethyl-1,1,4,4-tetramethyl-tetralin-6-yl)-2-keto-ethyl]thio]nicotinate Formula: C24H28NO3S- MolecularWeight: 410.54902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C(=O)CSC3=C(C=CC=N3)C(=O)[O-])C(CCC2(C)C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C(=O)CSC3=C(C=CC=N3)C(=O)[O-])C(CCC2(C)C)(C)C

InChI

InChI=1S/C24H29NO3S/c1-6-15-12-18-19(24(4,5)10-9-23(18,2)3)13-17(15)20(26)14-29-21-16(22(27)28)8-7-11-25-21/h7-8,11-13H,6,9-10,14H2,1-5H3,(H,27,28)/p-1