7-[[(2E)-2-[5-(aminomethyl)furan-2-yl]-2-methoxyimino-ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-[5-(aminomethyl)furan-2-yl]-2-methoxyimino-ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-[5-(aminomethyl)-2-furyl]-2-methoxyimino-acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-[5-(aminomethyl)-2-furanyl]-2-methoxyimino-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-[5-(aminomethyl)furan-2-yl]-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-[5-(aminomethyl)-2-furyl]-2-methyloximino-acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H20N8O6S2 MolecularWeight: 508.5314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CC=C(O4)CN)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC)/C4=CC=C(O4)CN)SC2)C(=O)O

InChI

InChI=1S/C18H20N8O6S2/c1-25-18(21-23-24-25)34-7-8-6-33-16-12(15(28)26(16)13(8)17(29)30)20-14(27)11(22-31-2)10-4-3-9(5-19)32-10/h3-4,12,16H,5-7,19H2,1-2H3,(H,20,27)(H,29,30)/b22-11+