[3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanyl]-2-oxidanylidene-3-(3-oxidanylideneoxan-2-yl)azetidin-1-yl] 2-oxidanylideneethanoate

Systemtic Name: [3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanyl]-2-oxidanylidene-3-(3-oxidanylideneoxan-2-yl)azetidin-1-yl] 2-oxidanylideneethanoate Openeye Name: [3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanyl]-2-oxo-3-(3-oxotetrahydropyran-2-yl)azetidin-1-yl] 2-oxoacetate CAS Name: 2-oxoacetic acid [3-[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]ethylthio]-2-oxo-3-(3-oxo-2-oxanyl)-1-azetidinyl] ester IUPAC Name: [3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanyl]-2-oxo-3-(3-oxooxan-2-yl)azetidin-1-yl] 2-oxoacetate Traditional Name: 2-ketoacetic acid [2-keto-3-(3-ketotetrahydropyran-2-yl)-3-[2-[(4-nitrobenzyl)oxycarbonylamino]ethylthio]azetidin-1-yl] ester Formula: C20H21N3O10S MolecularWeight: 495.45984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(OC1)C2(CN(C2=O)OC(=O)C=O)SCCNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)C(OC1)C2(CN(C2=O)OC(=O)C=O)SCCNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O10S/c24-10-16(26)33-22-12-20(18(22)27,17-15(25)2-1-8-31-17)34-9-7-21-19(28)32-11-13-3-5-14(6-4-13)23(29)30/h3-6,10,17H,1-2,7-9,11-12H2,(H,21,28)