2-[3-ethyl-2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylsulfanyl]-4-oxidanylidene-azetidin-1-yl]-2-oxidanyl-ethanoic acid

Systemtic Name: 2-[3-ethyl-2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylsulfanyl]-4-oxidanylidene-azetidin-1-yl]-2-oxidanyl-ethanoic acid Openeye Name: 2-[3-ethyl-2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylsulfanyl]-4-oxo-azetidin-1-yl]-2-hydroxy-acetic acid CAS Name: 2-[3-ethyl-2-[[4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxobutyl]thio]-4-oxo-1-azetidinyl]-2-hydroxyacetic acid IUPAC Name: 2-[3-ethyl-2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylsulfanyl]-4-oxoazetidin-1-yl]-2-hydroxyacetic acid Traditional Name: 2-[3-ethyl-2-keto-4-[4-[(4-nitrobenzyl)oxycarbonylamino]butanoylthio]azetidin-1-yl]-2-hydroxy-acetic acid Formula: C19H23N3O9S MolecularWeight: 469.46562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(C1=O)C(C(=O)O)O)SC(=O)CCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1C(N(C1=O)C(C(=O)O)O)SC(=O)CCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O9S/c1-2-13-15(24)21(16(25)18(26)27)17(13)32-14(23)4-3-9-20-19(28)31-10-11-5-7-12(8-6-11)22(29)30/h5-8,13,16-17,25H,2-4,9-10H2,1H3,(H,20,28)(H,26,27)