S-[(4-nitrophenyl)methyl] 2-(2-oxidanylideneazetidin-1-yl)propanethioate

Systemtic Name: S-[(4-nitrophenyl)methyl] 2-(2-oxidanylideneazetidin-1-yl)propanethioate Openeye Name: S-[(4-nitrophenyl)methyl] 2-(2-oxoazetidin-1-yl)propanethioate CAS Name: 2-(2-oxo-1-azetidinyl)propanethioic acid S-[(4-nitrophenyl)methyl] ester IUPAC Name: S-[(4-nitrophenyl)methyl] 2-(2-oxoazetidin-1-yl)propanethioate Traditional Name: 2-(2-ketoazetidin-1-yl)propanethioic acid S-(4-nitrobenzyl) ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SCC1=CC=C(C=C1)[N+](=O)[O-])N2CCC2=O

Isomeric SMILES

CC(C(=O)SCC1=CC=C(C=C1)[N+](=O)[O-])N2CCC2=O

InChI

InChI=1S/C13H14N2O4S/c1-9(14-7-6-12(14)16)13(17)20-8-10-2-4-11(5-3-10)15(18)19/h2-5,9H,6-8H2,1H3