(4-nitrophenyl)methyl 2-(1-methyl-4-oxidanylidene-azetidin-2-yl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(1-methyl-4-oxidanylidene-azetidin-2-yl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(1-methyl-4-oxo-azetidin-2-yl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(1-methyl-4-oxo-2-azetidinyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1-methyl-4-oxoazetidin-2-yl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(4-keto-1-methyl-azetidin-2-yl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC1=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1C(CC1=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H19N3O5S/c1-17-13(7-15(17)20)14-6-12(25)8-18(14)16(21)24-9-10-2-4-11(5-3-10)19(22)23/h2-5,12-14,25H,6-9H2,1H3