7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-(2-ethoxy-2-oxidanylidene-ethoxy)imino-ethanoyl]amino]-3-(furo[2,3-c]pyridin-6-ium-6-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-(2-ethoxy-2-oxidanylidene-ethoxy)imino-ethanoyl]amino]-3-(furo[2,3-c]pyridin-6-ium-6-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-(2-ethoxy-2-oxo-ethoxy)imino-acetyl]amino]-3-(furo[2,3-c]pyridin-6-ium-6-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-(2-ethoxy-2-oxoethoxy)imino-1-oxoethyl]amino]-3-(6-furo[2,3-c]pyridin-6-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-(2-ethoxy-2-oxoethoxy)iminoacetyl]amino]-3-(furo[2,3-c]pyridin-6-ium-6-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-(2-ethoxy-2-keto-ethyl)oximino-acetyl]amino]-3-(furo[2,3-c]pyridin-6-ium-6-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H23N6O9S+ MolecularWeight: 571.53922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CON=C(C1=COC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC5=C(C=C4)C=CO5)C(=O)O

Isomeric SMILES

CCOC(=O)CO/N=C(\C1=COC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC5=C(C=C4)C=CO5)C(=O)O

InChI

InChI=1S/C24H22N6O9S/c1-2-36-16(31)10-39-28-17(14-9-38-24(25)26-14)20(32)27-18-21(33)30-19(23(34)35)13(11-40-22(18)30)7-29-5-3-12-4-6-37-15(12)8-29/h3-6,8-9,18,22H,2,7,10-11H2,1H3,(H3-,25,26,27,32,34,35)/p+1/b28-17+