2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[(2-oxidanylidene-1-sulfo-azetidin-3-yl)amino]ethylidene]amino]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[(2-oxidanylidene-1-sulfo-azetidin-3-yl)amino]ethylidene]amino]oxy-2-methyl-propanoic acid Openeye Name: 2-[(Z)-[1-(2-aminothiazol-4-yl)-2-oxo-2-[(2-oxo-1-sulfo-azetidin-3-yl)amino]ethylidene]amino]oxy-2-methyl-propanoic acid CAS Name: 2-[(Z)-[1-(2-amino-4-thiazolyl)-2-oxo-2-[(2-oxo-1-sulfo-3-azetidinyl)amino]ethylidene]amino]oxy-2-methylpropanoic acid IUPAC Name: 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-[(2-oxo-1-sulfoazetidin-3-yl)amino]ethylidene]amino]oxy-2-methylpropanoic acid Traditional Name: 2-[(Z)-[1-(2-aminothiazol-4-yl)-2-keto-2-[(2-keto-1-sulfo-azetidin-3-yl)amino]ethylidene]amino]oxy-2-methyl-propionic acid Formula: C12H15N5O8S2 MolecularWeight: 421.4062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2CN(C2=O)S(=O)(=O)O

Isomeric SMILES

CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)NC2CN(C2=O)S(=O)(=O)O

InChI

InChI=1S/C12H15N5O8S2/c1-12(2,10(20)21)25-16-7(6-4-26-11(13)15-6)8(18)14-5-3-17(9(5)19)27(22,23)24/h4-5H,3H2,1-2H3,(H2,13,15)(H,14,18)(H,20,21)(H,22,23,24)/b16-7-