3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-(2-ethoxy-2-oxidanylidene-ethoxy)-4-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: 3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-(2-ethoxy-2-oxidanylidene-ethoxy)-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-(2-ethoxy-2-oxo-ethoxy)-4-oxo-azetidine-1-sulfonate CAS Name: 3-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-(2-ethoxy-2-oxoethoxy)-4-oxo-1-azetidinesulfonate IUPAC Name: 3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2-ethoxy-2-oxoethoxy)-4-oxoazetidine-1-sulfonate Traditional Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-2-(2-ethoxy-2-keto-ethoxy)-4-keto-azetidine-1-sulfonate Formula: C13H16N5O9S2- MolecularWeight: 450.42424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(=NOC)C2=CSC(=N2)N

Isomeric SMILES

CCOC(=O)COC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)/C(=N/OC)/C2=CSC(=N2)N

InChI

InChI=1S/C13H17N5O9S2/c1-3-26-7(19)4-27-12-9(11(21)18(12)29(22,23)24)16-10(20)8(17-25-2)6-5-28-13(14)15-6/h5,9,12H,3-4H2,1-2H3,(H2,14,15)(H,16,20)(H,22,23,24)/p-1/b17-8+