7-acetamido-8-oxidanylidene-3-(pyridin-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Systemtic Name: 7-acetamido-8-oxidanylidene-3-(pyridin-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 7-acetamido-8-oxo-3-(2-pyridylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 7-acetamido-8-oxo-3-[(2-pyridinylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 7-acetamido-8-oxo-3-(pyridin-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 7-acetamido-8-keto-3-[(2-pyridylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C15H15N3O4S2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(C(=CS2)CSC3=CC=CC=N3)C(=O)O

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(C(=CS2)CSC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C15H15N3O4S2/c1-8(19)17-11-13(20)18-12(15(21)22)9(7-24-14(11)18)6-23-10-4-2-3-5-16-10/h2-5,7,11-12,14H,6H2,1H3,(H,17,19)(H,21,22)