7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(1-methylpyridin-1-ium-3-yl)methyl]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(1-methylpyridin-1-ium-3-yl)methyl]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methylpyridin-1-ium-3-yl)methyl]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(1-methyl-3-pyridin-1-iumyl)methyl]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyridin-1-ium-3-yl)methyl]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-3-[(1-methylpyridin-1-ium-3-yl)methyl]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H21N6O5S2+ MolecularWeight: 489.54794

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC2=C(N3C(CS2)C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)C(=O)O

Isomeric SMILES

C[N+]1=CC=CC(=C1)CC2=C(N3C(CS2)C(C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)C(=O)O

InChI

InChI=1S/C20H20N6O5S2/c1-25-5-3-4-10(7-25)6-13-16(19(29)30)26-12(9-32-13)15(18(26)28)23-17(27)14(24-31-2)11-8-33-20(21)22-11/h3-5,7-8,12,15H,6,9H2,1-2H3,(H3-,21,22,23,27,29,30)/p+1/b24-14+