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

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-7-(1-hydroxyethyl)-6-oxidanylidene-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Openeye Name: 3-(2-acetamidoethylsulfanyl)-7-(1-hydroxyethyl)-6-oxo-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid CAS Name: 3-(2-acetamidoethylthio)-7-(1-hydroxyethyl)-6-oxo-4-bicyclo[3.2.0]hept-3-enecarboxylic acid IUPAC Name: 3-(2-acetamidoethylsulfanyl)-7-(1-hydroxyethyl)-6-oxobicyclo[3.2.0]hept-3-ene-4-carboxylic acid Traditional Name: 3-(2-acetamidoethylthio)-7-(1-hydroxyethyl)-6-keto-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(C2C1=O)C(=O)O)SCCNC(=O)C)O

Isomeric SMILES

CC(C1C2CC(=C(C2C1=O)C(=O)O)SCCNC(=O)C)O

InChI

InChI=1S/C14H19NO5S/c1-6(16)10-8-5-9(21-4-3-15-7(2)17)12(14(19)20)11(8)13(10)18/h6,8,10-11,16H,3-5H2,1-2H3,(H,15,17)(H,19,20)