4-(2-azanyl-1,3-thiazol-4-yl)-4-[[(2E)-2-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]-2-methoxyimino-ethanoyl]amino]-3-[(1-methylpyridin-1-ium-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-(2-azanyl-1,3-thiazol-4-yl)-4-[[(2E)-2-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]-2-methoxyimino-ethanoyl]amino]-3-[(1-methylpyridin-1-ium-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-(2-aminothiazol-4-yl)-4-[[(2E)-2-(1,5-dihydroxy-4-oxo-2-pyridyl)-2-methoxyimino-acetyl]amino]-3-[(1-methylpyridin-1-ium-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-(2-amino-4-thiazolyl)-4-[[(2E)-2-(1,5-dihydroxy-4-oxo-2-pyridinyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(1-methyl-2-pyridin-1-iumyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-(2-amino-1,3-thiazol-4-yl)-4-[[(2E)-2-(1,5-dihydroxy-4-oxopyridin-2-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyridin-1-ium-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-(2-aminothiazol-4-yl)-4-[[(2E)-2-(1,5-dihydroxy-4-keto-2-pyridyl)-2-methyloximino-acetyl]amino]-8-keto-3-[[(1-methylpyridin-1-ium-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H24N7O8S3+ MolecularWeight: 646.69516

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC2=C(N3C(CC3=O)SC2(C4=CSC(=N4)N)NC(=O)C(=NOC)C5=CC(=O)C(=CN5O)O)C(=O)O

Isomeric SMILES

C[N+]1=CC=CC=C1SCC2=C(N3C(CC3=O)SC2(C4=CSC(=N4)N)NC(=O)/C(=N/OC)/C5=CC(=O)C(=CN5O)O)C(=O)O

InChI

InChI=1S/C25H23N7O8S3/c1-30-6-4-3-5-18(30)41-10-12-21(23(37)38)32-17(35)8-19(32)43-25(12,16-11-42-24(26)27-16)28-22(36)20(29-40-2)13-7-14(33)15(34)9-31(13)39/h3-7,9,11,19,39H,8,10H2,1-2H3,(H4-,26,27,28,34,36,37,38)/p+1/b29-20+