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

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-acetamidoethylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-acetamidoethylthio)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-acetamidoethylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-acetamidoethylthio)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCCNC(=O)C)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCCNC(=O)C)C(=O)O)O

InChI

InChI=1S/C12H16N2O5S2/c1-5(15)7-9(17)14-8(11(18)19)12(21-10(7)14)20-4-3-13-6(2)16/h5,7,10,15H,3-4H2,1-2H3,(H,13,16)(H,18,19)