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-ethylpyridin-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-ethylpyridin-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-ethylpyridin-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-ethyl-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-ethylpyridin-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]-3-[[(1-ethylpyridin-1-ium-2-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C26H26N7O8S3+ MolecularWeight: 660.72174

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Descriptors Computed from Structure

Canonical SMILES:

CC[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

CC[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/C26H25N7O8S3/c1-3-31-7-5-4-6-19(31)42-11-13-22(24(38)39)33-18(36)9-20(33)44-26(13,17-12-43-25(27)28-17)29-23(37)21(30-41-2)14-8-15(34)16(35)10-32(14)40/h4-8,10,12,20,40H,3,9,11H2,1-2H3,(H4-,27,28,29,35,37,38,39)/p+1/b30-21+