7-[ethanoyl(pyridin-4-ylsulfanyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[ethanoyl(pyridin-4-ylsulfanyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[acetyl(4-pyridylsulfanyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[acetyl-(pyridin-4-ylthio)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[acetyl(pyridin-4-ylsulfanyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[acetyl-(4-pyridylthio)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H13N3O4S2 MolecularWeight: 351.40072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C2N(C1=O)C(=CCS2)C(=O)O)SC3=CC=NC=C3

Isomeric SMILES

CC(=O)N(C1C2N(C1=O)C(=CCS2)C(=O)O)SC3=CC=NC=C3

InChI

InChI=1S/C14H13N3O4S2/c1-8(18)17(23-9-2-5-15-6-3-9)11-12(19)16-10(14(20)21)4-7-22-13(11)16/h2-6,11,13H,7H2,1H3,(H,20,21)