7-[ethanoyl(pyridin-4-ylsulfanyl)amino]-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 7-[ethanoyl(pyridin-4-ylsulfanyl)amino]-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 7-[acetyl(4-pyridylsulfanyl)amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 7-[acetyl-(pyridin-4-ylthio)amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 7-[acetyl(pyridin-4-ylsulfanyl)amino]-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 7-[acetyl-(4-pyridylthio)amino]-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C15H15N3O4S2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C2N(C1=O)C(C(=C)CS2)C(=O)O)SC3=CC=NC=C3

Isomeric SMILES

CC(=O)N(C1C2N(C1=O)C(C(=C)CS2)C(=O)O)SC3=CC=NC=C3

InChI

InChI=1S/C15H15N3O4S2/c1-8-7-23-14-12(13(20)17(14)11(8)15(21)22)18(9(2)19)24-10-3-5-16-6-4-10/h3-6,11-12,14H,1,7H2,2H3,(H,21,22)