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

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 1-(2-nitrophenyl)bicyclo[1.1.1]pentane-3-carboxylate Openeye Name: (2-thioxo-1-pyridyl) 1-(2-nitrophenyl)bicyclo[1.1.1]pentane-3-carboxylate CAS Name: 1-(2-nitrophenyl)-3-bicyclo[1.1.1]pentanecarboxylic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 1-(2-nitrophenyl)bicyclo[1.1.1]pentane-3-carboxylate Traditional Name: 1-(2-nitrophenyl)bicyclo[1.1.1]pentane-3-carboxylic acid (2-thioxo-1-pyridyl) ester Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC1(C2)C(=O)ON3C=CC=CC3=S)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C2(CC1(C2)C(=O)ON3C=CC=CC3=S)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c20-15(23-18-8-4-3-7-14(18)24)17-9-16(10-17,11-17)12-5-1-2-6-13(12)19(21)22/h1-8H,9-11H2