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

Systemtic Name: (6E)-3-(2-acetamidoethylsulfanyl)-6-ethylidene-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (6E)-3-(2-acetamidoethylsulfanyl)-6-ethylidene-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (6E)-3-(2-acetamidoethylthio)-6-ethylidene-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (6E)-3-(2-acetamidoethylsulfanyl)-6-ethylidene-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (6E)-3-(2-acetamidoethylthio)-6-ethylidene-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C\1/C2N(C1=O)C(=C(S2)SCCNC(=O)C)C(=O)O

InChI

InChI=1S/C12H14N2O4S2/c1-3-7-9(16)14-8(11(17)18)12(20-10(7)14)19-5-4-13-6(2)15/h3,10H,4-5H2,1-2H3,(H,13,15)(H,17,18)/b7-3+