7-[[(2E)-2-(5-azanyl-1,2,4-oxadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-3-[(2-methylfuro[2,3-c]pyridin-6-ium-6-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-oxadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-3-[(2-methylfuro[2,3-c]pyridin-6-ium-6-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methylfuro[2,3-c]pyridin-6-ium-6-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-methoxyimino-1-oxoethyl]amino]-3-[(2-methyl-6-furo[2,3-c]pyridin-6-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methylfuro[2,3-c]pyridin-6-ium-6-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-methyloximino-acetyl]amino]-8-keto-3-[(2-methylfuro[2,3-c]pyridin-6-ium-6-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H20N7O7S+ MolecularWeight: 514.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=[N+](C=C2)CC3=C(N4C(C(C4=O)NC(=O)C(=NOC)C5=NOC(=N5)N)SC3)C(=O)O

Isomeric SMILES

CC1=CC2=C(O1)C=[N+](C=C2)CC3=C(N4C(C(C4=O)NC(=O)/C(=N/OC)/C5=NOC(=N5)N)SC3)C(=O)O

InChI

InChI=1S/C21H19N7O7S/c1-9-5-10-3-4-27(7-12(10)34-9)6-11-8-36-19-14(18(30)28(19)15(11)20(31)32)23-17(29)13(25-33-2)16-24-21(22)35-26-16/h3-5,7,14,19H,6,8H2,1-2H3,(H3-,22,23,24,26,29,31,32)/p+1/b25-13+