7-azanyl-7-[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]-8-oxidanylidene-3-(1,2,3-thiadiazol-5-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-7-[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]-8-oxidanylidene-3-(1,2,3-thiadiazol-5-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-7-[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]-8-oxo-3-(thiadiazol-5-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-7-[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]-8-oxo-3-[(5-thiadiazolylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-7-[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]-8-oxo-3-(thiadiazol-5-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-7-[(2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]-8-keto-3-[(thiadiazol-5-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H13N7O5S5 MolecularWeight: 531.63262

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)(C(=O)C(=NO)C3=CSC(=N3)N)N)C(=O)O)SCSC4=CN=NS4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)(C(=O)/C(=N/O)/C3=CSC(=N3)N)N)C(=O)O)SCSC4=CN=NS4

InChI

InChI=1S/C15H13N7O5S5/c16-14-19-5(2-29-14)8(20-27)10(23)15(17)12(26)22-9(11(24)25)6(3-28-13(15)22)30-4-31-7-1-18-21-32-7/h1-2,13,27H,3-4,17H2,(H2,16,19)(H,24,25)/b20-8+