7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(carboxymethyloxyimino)-1-oxoethyl]amino]-8-oxo-3-(1-pyridin-1-iumylmethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloximino)acetyl]amino]-8-keto-3-(pyridin-1-ium-1-ylmethyl)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H19N6O7S2+ MolecularWeight: 519.53086

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C(S1)C[N+]3=CC=CC=C3)C(=O)O)NC(=O)C(=NOCC(=O)O)C4=CSC(=N4)N

Isomeric SMILES

C1C2C(C(=O)N2C(=C(S1)C[N+]3=CC=CC=C3)C(=O)O)NC(=O)/C(=N/OCC(=O)O)/C4=CSC(=N4)N

InChI

InChI=1S/C20H18N6O7S2/c21-20-22-10(8-35-20)14(24-33-7-13(27)28)17(29)23-15-11-9-34-12(6-25-4-2-1-3-5-25)16(19(31)32)26(11)18(15)30/h1-5,8,11,15H,6-7,9H2,(H4-,21,22,23,27,28,29,31,32)/p+1/b24-14+