S-(2-cyanoethyl) 3-[(4-nitrophenyl)methoxycarbonyl-[(2R)-4-oxidanylideneazetidin-2-yl]amino]propanethioate

Systemtic Name: S-(2-cyanoethyl) 3-[(4-nitrophenyl)methoxycarbonyl-[(2R)-4-oxidanylideneazetidin-2-yl]amino]propanethioate Openeye Name: S-(2-cyanoethyl) 3-[(4-nitrophenyl)methoxycarbonyl-[(2R)-4-oxoazetidin-2-yl]amino]propanethioate CAS Name: 3-[[(4-nitrophenyl)methoxy-oxomethyl]-[(2R)-4-oxo-2-azetidinyl]amino]propanethioic acid S-(2-cyanoethyl) ester IUPAC Name: S-(2-cyanoethyl) 3-[(4-nitrophenyl)methoxycarbonyl-[(2R)-4-oxoazetidin-2-yl]amino]propanethioate Traditional Name: 3-[[(2R)-4-ketoazetidin-2-yl]-(4-nitrobenzyl)oxycarbonyl-amino]propanethioic acid S-(2-cyanoethyl) ester Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC1=O)N(CCC(=O)SCCC#N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](NC1=O)N(CCC(=O)SCCC#N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S/c18-7-1-9-28-16(23)6-8-20(14-10-15(22)19-14)17(24)27-11-12-2-4-13(5-3-12)21(25)26/h2-5,14H,1,6,8-11H2,(H,19,22)/t14-/m1/s1