7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[oxidanyl-(3-oxidanyl-4-oxidanylidene-3H-pyridin-6-yl)methoxy]imino-ethanoyl]amino]-3-[(4-carboxy-3-oxidanylidene-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[oxidanyl-(3-oxidanyl-4-oxidanylidene-3H-pyridin-6-yl)methoxy]imino-ethanoyl]amino]-3-[(4-carboxy-3-oxidanylidene-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[hydroxy-(3-hydroxy-4-oxo-3H-pyridin-6-yl)methoxy]imino-acetyl]amino]-3-[(4-carboxy-3-oxo-isothiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[hydroxy-(3-hydroxy-4-oxo-3H-pyridin-6-yl)methoxy]imino-1-oxoethyl]amino]-3-[[(4-carboxy-3-oxo-5-isothiazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[hydroxy-(3-hydroxy-4-oxo-3H-pyridin-6-yl)methoxy]iminoacetyl]amino]-3-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[hydroxy-(3-hydroxy-4-keto-3H-pyridin-6-yl)methyl]oximino-acetyl]amino]-3-[[(4-carboxy-3-keto-4-isothiazolin-5-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H19N7O11S4 MolecularWeight: 697.69726

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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)C(=O)O)CSC5=C(C(=O)NS5)C(=O)O

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)C(=O)O)CSC5=C(C(=O)NS5)C(=O)O

InChI

InChI=1S/C23H19N7O11S4/c24-23-26-8(5-44-23)12(28-41-21(40)7-1-9(31)10(32)2-25-7)16(34)27-13-17(35)30-14(20(38)39)6(3-42-18(13)30)4-43-22-11(19(36)37)15(33)29-45-22/h1-2,5,10,13,18,21,32,40H,3-4H2,(H2,24,26)(H,27,34)(H,29,33)(H,36,37)(H,38,39)/b28-12-