sulfanyl 3-(1-azanylbutyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sulfanyl 3-(1-azanylbutyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sulfanyl 3-(1-aminobutyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(1-aminobutyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid mercapto ester IUPAC Name: sulfanyl 3-(1-aminobutyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(1-aminobutyl)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid mercapto ester Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4S/c1-3-4-8(14)7-5-9-10(6(2)16)12(17)15(9)11(7)13(18)19-20/h6,8-10,16,20H,3-5,14H2,1-2H3