3-(2-acetamidoethylsulfanyl)-6-(hydroxymethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-6-(hydroxymethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-acetamidoethylsulfanyl)-6-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-acetamidoethylthio)-6-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-acetamidoethylsulfanyl)-6-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-acetamidoethylthio)-7-keto-6-methylol-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C11H14N2O5S2 MolecularWeight: 318.36926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=C(N2C(S1)C(C2=O)CO)C(=O)O

Isomeric SMILES

CC(=O)NCCSC1=C(N2C(S1)C(C2=O)CO)C(=O)O

InChI

InChI=1S/C11H14N2O5S2/c1-5(15)12-2-3-19-11-7(10(17)18)13-8(16)6(4-14)9(13)20-11/h6,9,14H,2-4H2,1H3,(H,12,15)(H,17,18)