7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(furo[3,2-c]pyridin-5-ium-5-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-methoxyimino-ethanoyl]amino]-3-(furo[3,2-c]pyridin-5-ium-5-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-methoxyimino-acetyl]amino]-3-(furo[3,2-c]pyridin-5-ium-5-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-methoxyimino-1-oxoethyl]amino]-3-(5-furo[3,2-c]pyridin-5-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-methoxyiminoacetyl]amino]-3-(furo[3,2-c]pyridin-5-ium-5-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-methyloximino-acetyl]amino]-3-(furo[3,2-c]pyridin-5-ium-5-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H19N6O7S+ MolecularWeight: 499.47656

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=COC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC5=C(C=C4)OC=C5)C(=O)O

Isomeric SMILES

CO/N=C(\C1=COC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC5=C(C=C4)OC=C5)C(=O)O

InChI

InChI=1S/C21H18N6O7S/c1-32-25-14(12-8-34-21(22)23-12)17(28)24-15-18(29)27-16(20(30)31)11(9-35-19(15)27)7-26-4-2-13-10(6-26)3-5-33-13/h2-6,8,15,19H,7,9H2,1H3,(H3-,22,23,24,28,30,31)/p+1/b25-14+