7-[[(2E)-2-methoxyimino-2-[2-(methylsulfonylamino)-1,3-thiazol-4-yl]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-methoxyimino-2-[2-(methylsulfonylamino)-1,3-thiazol-4-yl]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-[2-(methanesulfonamido)thiazol-4-yl]-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-[2-(methanesulfonamido)-4-thiazolyl]-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-[2-(methanesulfonamido)-1,3-thiazol-4-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: 8-keto-7-[[(2E)-2-[2-(methanesulfonamido)thiazol-4-yl]-2-methyloximino-acetyl]amino]-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H19N9O7S4 MolecularWeight: 589.64886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)NS(=O)(=O)C)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)NS(=O)(=O)C)SC2)C(=O)O

InChI

InChI=1S/C17H19N9O7S4/c1-25-17(20-23-24-25)36-5-7-4-34-14-10(13(28)26(14)11(7)15(29)30)19-12(27)9(21-33-2)8-6-35-16(18-8)22-37(3,31)32/h6,10,14H,4-5H2,1-3H3,(H,18,22)(H,19,27)(H,29,30)/b21-9+