3-(2-acetamidoethylsulfanyl)-6-(1-azanylethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-6-(1-azanylethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-acetamidoethylsulfanyl)-6-(1-aminoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-acetamidoethylthio)-6-(1-aminoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-acetamidoethylsulfanyl)-6-(1-aminoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-acetamidoethylthio)-6-(1-aminoethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)C)N

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)C)N

InChI

InChI=1S/C13H19N3O4S/c1-6(14)10-8-5-9(21-4-3-15-7(2)17)11(13(19)20)16(8)12(10)18/h6,8,10H,3-5,14H2,1-2H3,(H,15,17)(H,19,20)