(2-sulfanylidenepyridin-1-yl) 1-(4-methoxyphenyl)bicyclo[1.1.1]pentane-3-carboxylate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 1-(4-methoxyphenyl)bicyclo[1.1.1]pentane-3-carboxylate Openeye Name: (2-thioxo-1-pyridyl) 1-(4-methoxyphenyl)bicyclo[1.1.1]pentane-3-carboxylate CAS Name: 1-(4-methoxyphenyl)-3-bicyclo[1.1.1]pentanecarboxylic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 1-(4-methoxyphenyl)bicyclo[1.1.1]pentane-3-carboxylate Traditional Name: 1-(4-methoxyphenyl)bicyclo[1.1.1]pentane-3-carboxylic acid (2-thioxo-1-pyridyl) ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC(C2)(C3)C(=O)ON4C=CC=CC4=S

Isomeric SMILES

COC1=CC=C(C=C1)C23CC(C2)(C3)C(=O)ON4C=CC=CC4=S

InChI

InChI=1S/C18H17NO3S/c1-21-14-7-5-13(6-8-14)17-10-18(11-17,12-17)16(20)22-19-9-3-2-4-15(19)23/h2-9H,10-12H2,1H3