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

Systemtic Name: 2-chloranyl-2-[3-methoxy-2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylsulfanyl]-4-oxidanylidene-azetidin-1-yl]ethanoic acid Openeye Name: 2-chloro-2-[3-methoxy-2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylsulfanyl]-4-oxo-azetidin-1-yl]acetic acid CAS Name: 2-chloro-2-[3-methoxy-2-[[4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxobutyl]thio]-4-oxo-1-azetidinyl]acetic acid IUPAC Name: 2-chloro-2-[3-methoxy-2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylsulfanyl]-4-oxoazetidin-1-yl]acetic acid Traditional Name: 2-chloro-2-[2-keto-3-methoxy-4-[4-[(4-nitrobenzyl)oxycarbonylamino]butanoylthio]azetidin-1-yl]acetic acid Formula: C18H20ClN3O9S MolecularWeight: 489.8841

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(N(C1=O)C(C(=O)O)Cl)SC(=O)CCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1C(N(C1=O)C(C(=O)O)Cl)SC(=O)CCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O9S/c1-30-13-15(24)21(14(19)17(25)26)16(13)32-12(23)3-2-8-20-18(27)31-9-10-4-6-11(7-5-10)22(28)29/h4-7,13-14,16H,2-3,8-9H2,1H3,(H,20,27)(H,25,26)