sodium 3-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-propan-2-yloxyimino-ethanoyl]amino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-propan-2-yloxyimino-ethanoyl]amino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[(2Z)-2-(2-aminothiazol-4-yl)-2-isopropoxyimino-acetyl]amino]-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-propan-2-yloxyiminoethyl]amino]-2-methoxycarbonyl-4-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-propan-2-yloxyiminoacetyl]amino]-2-methoxycarbonyl-4-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[(2Z)-2-(2-aminothiazol-4-yl)-2-isopropyloximino-acetyl]amino]-2-carbomethoxy-4-keto-azetidine-1-sulfonate Formula: C13H16N5NaO8S2 MolecularWeight: 457.41461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)ON=C(C1=CSC(=N1)N)C(=O)NC2C(N(C2=O)S(=O)(=O)[O-])C(=O)OC.[Na+]

Isomeric SMILES

CC(C)O/N=C(/C1=CSC(=N1)N)\C(=O)NC2C(N(C2=O)S(=O)(=O)[O-])C(=O)OC.[Na+]

InChI

InChI=1S/C13H17N5O8S2.Na/c1-5(2)26-17-7(6-4-27-13(14)15-6)10(19)16-8-9(12(21)25-3)18(11(8)20)28(22,23)24;/h4-5,8-9H,1-3H3,(H2,14,15)(H,16,19)(H,22,23,24);/q;+1/p-1/b17-7-;