3-[[1-(carboxymethyl)pyridin-1-ium-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-[[1-(carboxymethyl)pyridin-1-ium-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[[1-(carboxymethyl)pyridin-1-ium-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[[1-(carboxymethyl)-2-pyridin-1-iumyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[[1-(carboxymethyl)pyridin-1-ium-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[[1-(carboxymethyl)pyridin-1-ium-2-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H14N2O5S2 MolecularWeight: 366.41206

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)CSC3=CC=CC=[N+]3CC(=O)O)C(=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)CSC3=CC=CC=[N+]3CC(=O)O)C(=O)[O-]

InChI

InChI=1S/C15H14N2O5S2/c18-10-5-12-17(10)14(15(21)22)9(8-24-12)7-23-11-3-1-2-4-16(11)6-13(19)20/h1-4,12H,5-8H2,(H-,19,20,21,22)