[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[oxidanyl-(3-oxidanyl-4-oxidanylidene-3H-pyridin-6-yl)methoxy]imino-ethanoyl]amino]-8-oxidanylidene-3-(1,2,3-thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate

Systemtic Name: [7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[oxidanyl-(3-oxidanyl-4-oxidanylidene-3H-pyridin-6-yl)methoxy]imino-ethanoyl]amino]-8-oxidanylidene-3-(1,2,3-thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Openeye Name: [7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[hydroxy-(3-hydroxy-4-oxo-3H-pyridin-6-yl)methoxy]imino-acetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate CAS Name: carbonic acid [7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[hydroxy-(3-hydroxy-4-oxo-3H-pyridin-6-yl)methoxy]imino-1-oxoethyl]amino]-8-oxo-3-[(5-thiadiazolylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester IUPAC Name: [7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[hydroxy-(3-hydroxy-4-oxo-3H-pyridin-6-yl)methoxy]iminoacetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Traditional Name: carbonic acid [7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[hydroxy-(3-hydroxy-4-keto-3H-pyridin-6-yl)methyl]oximino-acetyl]amino]-8-keto-3-[(thiadiazol-5-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C21H18N8O9S4 MolecularWeight: 654.67582

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOC(C3=CC(=O)C(C=N3)O)O)C4=CSC(=N4)N)OC(=O)O)CSC5=CN=NS5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OC(C3=CC(=O)C(C=N3)O)O)/C4=CSC(=N4)N)OC(=O)O)CSC5=CN=NS5

InChI

InChI=1S/C21H18N8O9S4/c22-20-25-9(6-41-20)13(27-38-19(34)8-1-10(30)11(31)2-23-8)15(32)26-14-16(33)29-17(37-21(35)36)7(5-40-18(14)29)4-39-12-3-24-28-42-12/h1-3,6,11,14,18-19,31,34H,4-5H2,(H2,22,25)(H,26,32)(H,35,36)/b27-13+