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

Systemtic Name: 2-chloranyl-2-[3-ethyl-2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylsulfanyl]-4-oxidanylidene-azetidin-1-yl]ethanoic acid Openeye Name: 2-chloro-2-[3-ethyl-2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylsulfanyl]-4-oxo-azetidin-1-yl]acetic acid CAS Name: 2-chloro-2-[3-ethyl-2-[[4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxobutyl]thio]-4-oxo-1-azetidinyl]acetic acid IUPAC Name: 2-chloro-2-[3-ethyl-2-[4-[(4-nitrophenyl)methoxycarbonylamino]butanoylsulfanyl]-4-oxoazetidin-1-yl]acetic acid Traditional Name: 2-chloro-2-[3-ethyl-2-keto-4-[4-[(4-nitrobenzyl)oxycarbonylamino]butanoylthio]azetidin-1-yl]acetic acid Formula: C19H22ClN3O8S MolecularWeight: 487.91128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O8S/c1-2-13-16(25)22(15(20)18(26)27)17(13)32-14(24)4-3-9-21-19(28)31-10-11-5-7-12(8-6-11)23(29)30/h5-8,13,15,17H,2-4,9-10H2,1H3,(H,21,28)(H,26,27)