(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-4-[(2R,3R)-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-2-yl]sulfanyl-but-1-ene-2-diazonium

Systemtic Name: (E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-4-[(2R,3R)-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-2-yl]sulfanyl-but-1-ene-2-diazonium Openeye Name: (E)-1-ethoxy-1-hydroxy-3-oxo-4-[(2R,3R)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl]sulfanyl-but-1-ene-2-diazonium CAS Name: (E)-1-ethoxy-1-hydroxy-3-oxo-4-[[(2R,3R)-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-2-azetidinyl]thio]-1-butene-2-diazonium IUPAC Name: (E)-1-ethoxy-1-hydroxy-3-oxo-4-[(2R,3R)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl]sulfanylbut-1-ene-2-diazonium Traditional Name: (E)-1-ethoxy-1-hydroxy-3-keto-4-[[(2R,3R)-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-2-yl]thio]but-1-ene-2-diazonium Formula: C17H19N4O6S+ MolecularWeight: 407.42096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)CSC1C(C(=O)N1)NC(=O)COC2=CC=CC=C2)[N+]#N)O

Isomeric SMILES

CCO/C(=C(\C(=O)CS[C@@H]1[C@@H](C(=O)N1)NC(=O)COC2=CC=CC=C2)/[N+]#N)/O

InChI

InChI=1S/C17H18N4O6S/c1-2-26-17(25)13(21-18)11(22)9-28-16-14(15(24)20-16)19-12(23)8-27-10-6-4-3-5-7-10/h3-7,14,16H,2,8-9H2,1H3,(H2-,19,20,22,23,24,25)/p+1/t14-,16-/m1/s1