[1-[[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-carboxy-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium

Systemtic Name: [1-[[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-carboxy-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium Openeye Name: [1-[[7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-carboxy-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-4-pyridylidene]methyl-oxo-ammonium CAS Name: [1-[[7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-carboxy-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-4-pyridinylidene]methyl-oxoammonium IUPAC Name: [1-[[7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-carboxy-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridin-4-ylidene]methyl-oxoazanium Traditional Name: [1-[[7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-2-carboxy-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-4-pyridylidene]methyl-keto-ammonium Formula: C20H20N7O6S2+ MolecularWeight: 518.5461

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3CSC(=C(N3C2=O)C(=O)O)CN4C=CC(=C[NH+]=O)C=C4

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3CSC(=C(N3C2=O)C(=O)O)CN4C=CC(=C[NH+]=O)C=C4

InChI

InChI=1S/C20H19N7O6S2/c1-33-25-14(11-8-35-20(21)23-11)17(28)24-15-12-9-34-13(16(19(30)31)27(12)18(15)29)7-26-4-2-10(3-5-26)6-22-32/h2-6,8,12,15H,7,9H2,1H3,(H2,21,23)(H,24,28)(H,30,31)/p+1/b25-14+