5-(2-acetamidoethylsulfanyl)-7-(1-hydroxyethyl)-6-oxidanylidene-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid

Systemtic Name: 5-(2-acetamidoethylsulfanyl)-7-(1-hydroxyethyl)-6-oxidanylidene-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Openeye Name: 5-(2-acetamidoethylsulfanyl)-7-(1-hydroxyethyl)-6-oxo-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid CAS Name: 5-(2-acetamidoethylthio)-7-(1-hydroxyethyl)-6-oxo-4-bicyclo[3.2.0]hept-3-enecarboxylic acid IUPAC Name: 5-(2-acetamidoethylsulfanyl)-7-(1-hydroxyethyl)-6-oxobicyclo[3.2.0]hept-3-ene-4-carboxylic acid Traditional Name: 5-(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(C2(C1=O)SCCNC(=O)C)C(=O)O)O

Isomeric SMILES

CC(C1C2CC=C(C2(C1=O)SCCNC(=O)C)C(=O)O)O

InChI

InChI=1S/C14H19NO5S/c1-7(16)11-9-3-4-10(13(19)20)14(9,12(11)18)21-6-5-15-8(2)17/h4,7,9,11,16H,3,5-6H2,1-2H3,(H,15,17)(H,19,20)