7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-(furo[2,3-b]pyridin-7-ium-7-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-(furo[2,3-b]pyridin-7-ium-7-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminooxazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-(furo[2,3-b]pyridin-7-ium-7-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-oxazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-(7-furo[2,3-b]pyridin-7-iumylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-oxazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(furo[2,3-b]pyridin-7-ium-7-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminooxazol-4-yl)-2-hydroximino-acetyl]amino]-3-(furo[2,3-b]pyridin-7-ium-7-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H17N6O7S+ MolecularWeight: 485.44998

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=COC(=N3)N)C(=O)O)C[N+]4=CC=CC5=C4OC=C5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/O)/C3=COC(=N3)N)C(=O)O)C[N+]4=CC=CC5=C4OC=C5

InChI

InChI=1S/C20H16N6O7S/c21-20-22-11(7-33-20)12(24-31)15(27)23-13-16(28)26-14(19(29)30)10(8-34-18(13)26)6-25-4-1-2-9-3-5-32-17(9)25/h1-5,7,13,18H,6,8H2,(H4-,21,22,23,27,29,30,31)/p+1