7-methoxy-7-(2-methylsulfonylethanoylamino)-3-[(3-methyl-1,2,3-triazol-4-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-methoxy-7-(2-methylsulfonylethanoylamino)-3-[(3-methyl-1,2,3-triazol-4-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methoxy-7-[(2-methylsulfonylacetyl)amino]-3-[(3-methyltriazol-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-methoxy-7-[(2-methylsulfonyl-1-oxoethyl)amino]-3-[[(3-methyl-4-triazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-methoxy-7-[(2-methylsulfonylacetyl)amino]-3-[(3-methyltriazol-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2-mesylacetyl)amino]-7-methoxy-3-[[(3-methyltriazol-4-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H19N5O7S3 MolecularWeight: 477.53566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CS(=O)(=O)C)OC)SC2)C(=O)O

Isomeric SMILES

CN1C(=CN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CS(=O)(=O)C)OC)SC2)C(=O)O

InChI

InChI=1S/C15H19N5O7S3/c1-19-10(4-16-18-19)28-5-8-6-29-14-15(27-2,17-9(21)7-30(3,25)26)13(24)20(14)11(8)12(22)23/h4,14H,5-7H2,1-3H3,(H,17,21)(H,22,23)