7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(quinolin-1-ium-1-ylmethyl)-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]-8-oxidanylidene-3-(quinolin-1-ium-1-ylmethyl)-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]-8-oxo-3-(quinolin-1-ium-1-ylmethyl)-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]-8-oxo-3-(1-quinolin-1-iumylmethyl)-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]-8-oxo-3-(quinolin-1-ium-1-ylmethyl)-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]-8-keto-3-(quinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H21N6O6S+ MolecularWeight: 509.51444

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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=CC=CC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CO/N=C(\C1=COC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C23H20N6O6S/c1-34-27-16(14-10-35-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(11-36-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28/h2-8,10,17,21H,9,11H2,1H3,(H3-,24,25,26,30,32,33)/p+1/b27-16+