S-(2-cyanoethyl) 3-[1-[(4-nitrophenyl)methoxycarbonylamino]-2-oxidanylidene-azetidin-3-yl]propanethioate

Systemtic Name: S-(2-cyanoethyl) 3-[1-[(4-nitrophenyl)methoxycarbonylamino]-2-oxidanylidene-azetidin-3-yl]propanethioate Openeye Name: S-(2-cyanoethyl) 3-[1-[(4-nitrophenyl)methoxycarbonylamino]-2-oxo-azetidin-3-yl]propanethioate CAS Name: 3-[1-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-2-oxo-3-azetidinyl]propanethioic acid S-(2-cyanoethyl) ester IUPAC Name: S-(2-cyanoethyl) 3-[1-[(4-nitrophenyl)methoxycarbonylamino]-2-oxoazetidin-3-yl]propanethioate Traditional Name: 3-[2-keto-1-[(4-nitrobenzyl)oxycarbonylamino]azetidin-3-yl]propanethioic acid S-(2-cyanoethyl) ester Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)SCCC#N

Isomeric SMILES

C1C(C(=O)N1NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)SCCC#N

InChI

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