(2-sulfanylidenepyridin-1-yl) 4-methyl-1-(2-methylbut-3-en-2-yl)-5-methylidene-cyclooctane-1-carboxylate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 4-methyl-1-(2-methylbut-3-en-2-yl)-5-methylidene-cyclooctane-1-carboxylate Openeye Name: (2-thioxo-1-pyridyl) 1-(1,1-dimethylallyl)-4-methyl-5-methylene-cyclooctanecarboxylate CAS Name: 4-methyl-1-(2-methylbut-3-en-2-yl)-5-methylene-1-cyclooctanecarboxylic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 4-methyl-1-(2-methylbut-3-en-2-yl)-5-methylidenecyclooctane-1-carboxylate Traditional Name: 1-(1,1-dimethylallyl)-4-methyl-5-methylene-cyclooctanecarboxylic acid (2-thioxo-1-pyridyl) ester Formula: C21H29NO2S MolecularWeight: 359.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CCCC1=C)(C(=O)ON2C=CC=CC2=S)C(C)(C)C=C

Isomeric SMILES

CC1CCC(CCCC1=C)(C(=O)ON2C=CC=CC2=S)C(C)(C)C=C

InChI

InChI=1S/C21H29NO2S/c1-6-20(4,5)21(13-9-10-16(2)17(3)12-14-21)19(23)24-22-15-8-7-11-18(22)25/h6-8,11,15,17H,1-2,9-10,12-14H2,3-5H3