7-[(carboxymethylamino)-pyridin-1-ium-1-ylsulfanyl-methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[(carboxymethylamino)-pyridin-1-ium-1-ylsulfanyl-methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[(carboxymethylamino)-pyridin-1-ium-1-ylsulfanyl-methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(carboxymethylamino)-(1-pyridin-1-iumylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[(carboxymethylamino)-pyridin-1-ium-1-ylsulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(carboxymethylamino)-(pyridin-1-ium-1-ylthio)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H15N3O5S2 MolecularWeight: 381.4267

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)C(NCC(=O)O)S[N+]3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)C(NCC(=O)O)S[N+]3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C15H15N3O5S2/c19-10(20)8-16-12(25-17-5-2-1-3-6-17)11-13(21)18-9(15(22)23)4-7-24-14(11)18/h1-6,11-12,14,16H,7-8H2,(H-,19,20,22,23)