3-butylsulfanyl-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-butylsulfanyl-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-butylsulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(butylthio)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-butylsulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(butylthio)-6-ethyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(N2C(C1)C(C2=O)CC)C(=O)O

Isomeric SMILES

CCCCSC1=C(N2C(C1)C(C2=O)CC)C(=O)O

InChI

InChI=1S/C13H19NO3S/c1-3-5-6-18-10-7-9-8(4-2)12(15)14(9)11(10)13(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)