3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-diazanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-diazanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-hydrazino-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[(2E)-2-(2-amino-4-thiazolyl)-2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-hydrazino-2-keto-1,1-dimethyl-ethyl)oximino-acetyl]amino]-2-keto-4-methyl-azetidine-1-sulfonic acid Formula: C13H19N7O7S2 MolecularWeight: 449.46266

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)NN)C2=CSC(=N2)N

Isomeric SMILES

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC(C)(C)C(=O)NN)/C2=CSC(=N2)N

InChI

InChI=1S/C13H19N7O7S2/c1-5-7(10(22)20(5)29(24,25)26)17-9(21)8(6-4-28-12(14)16-6)19-27-13(2,3)11(23)18-15/h4-5,7H,15H2,1-3H3,(H2,14,16)(H,17,21)(H,18,23)(H,24,25,26)/b19-8+