7-azanyl-3-butanoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-butanoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-butanoyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-(1-oxobutyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-butanoyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-butyryl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(N2C(C(C2=O)N)SC1)C(=O)O

Isomeric SMILES

CCCC(=O)C1=C(N2C(C(C2=O)N)SC1)C(=O)O

InChI

InChI=1S/C11H14N2O4S/c1-2-3-6(14)5-4-18-10-7(12)9(15)13(10)8(5)11(16)17/h7,10H,2-4,12H2,1H3,(H,16,17)