7-methoxy-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylsulfinylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-methoxy-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylsulfinylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-methoxy-3-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylsulfinylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylsulfinylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-methoxy-3-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-7-[[2-(2-thienylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H19N3O7S4 MolecularWeight: 541.64076

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CSC3=CC=CC=[N+]3[O-])C(=O)O)NC(=O)CS(=O)C4=CC=CS4

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CSC3=CC=CC=[N+]3[O-])C(=O)O)NC(=O)CS(=O)C4=CC=CS4

InChI

InChI=1S/C20H19N3O7S4/c1-30-20(21-13(24)11-34(29)15-6-4-8-31-15)18(27)23-16(17(25)26)12(10-33-19(20)23)9-32-14-5-2-3-7-22(14)28/h2-8,19H,9-11H2,1H3,(H,21,24)(H,25,26)