7-[[(2E)-2-methoxyiminoethanoyl]amino]-8-oxidanylidene-3-[[3,4,6-tris(azanyl)-4H-pyrimidin-3-ium-1-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-methoxyiminoethanoyl]amino]-8-oxidanylidene-3-[[3,4,6-tris(azanyl)-4H-pyrimidin-3-ium-1-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(3,4,6-triamino-4H-pyrimidin-3-ium-1-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-3-[[(3,4,6-triamino-4H-pyrimidin-3-ium-1-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(3,4,6-triamino-4H-pyrimidin-3-ium-1-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[(2E)-2-methyloximinoacetyl]amino]-3-[[(3,4,6-triamino-4H-pyrimidin-3-ium-1-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H21N8O5S2+ MolecularWeight: 457.50784

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Descriptors Computed from Structure

Canonical SMILES:

CON=CC(=O)NC1C2N(C1=O)C(=C(CS2)CSN3C=[N+](C(C=C3N)N)N)C(=O)O

Isomeric SMILES

CO/N=C/C(=O)NC1C2N(C1=O)C(=C(CS2)CSN3C=[N+](C(C=C3N)N)N)C(=O)O

InChI

InChI=1S/C15H20N8O5S2/c1-28-19-3-10(24)20-11-13(25)23-12(15(26)27)7(4-29-14(11)23)5-30-22-6-21(18)8(16)2-9(22)17/h2-3,6,8,11,14H,4-5,16-18H2,1H3,(H-,20,24,26,27)/p+1/b19-3+