3-(2-acetamidoethylsulfanyl)-6-oxidanylidene-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-6-oxidanylidene-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Openeye Name: 3-(2-acetamidoethylsulfanyl)-6-oxo-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid CAS Name: 3-(2-acetamidoethylthio)-6-oxo-4-bicyclo[3.2.0]hept-3-enecarboxylic acid IUPAC Name: 3-(2-acetamidoethylsulfanyl)-6-oxobicyclo[3.2.0]hept-3-ene-4-carboxylic acid Traditional Name: 3-(2-acetamidoethylthio)-6-keto-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=C(C2C(C1)CC2=O)C(=O)O

Isomeric SMILES

CC(=O)NCCSC1=C(C2C(C1)CC2=O)C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-6(14)13-2-3-18-9-5-7-4-8(15)10(7)11(9)12(16)17/h7,10H,2-5H2,1H3,(H,13,14)(H,16,17)