(4-nitrophenyl)methyl 3-oxidanylidene-5-pyridin-2-ylsulfanyl-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 3-oxidanylidene-5-pyridin-2-ylsulfanyl-pentanoate Openeye Name: (4-nitrophenyl)methyl 3-oxo-5-(2-pyridylsulfanyl)pentanoate CAS Name: 3-oxo-5-(2-pyridinylthio)pentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-oxo-5-pyridin-2-ylsulfanylpentanoate Traditional Name: 3-keto-5-(2-pyridylthio)valeric acid (4-nitrobenzyl) ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCCC(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)SCCC(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c20-15(8-10-25-16-3-1-2-9-18-16)11-17(21)24-12-13-4-6-14(7-5-13)19(22)23/h1-7,9H,8,10-12H2