5-(1-acetamidoethylsulfanylmethyl)-4-oxidanylidene-cyclopent-2-ene-1-carboxylic acid

Systemtic Name: 5-(1-acetamidoethylsulfanylmethyl)-4-oxidanylidene-cyclopent-2-ene-1-carboxylic acid Openeye Name: 5-(1-acetamidoethylsulfanylmethyl)-4-oxo-cyclopent-2-ene-1-carboxylic acid CAS Name: 5-[(1-acetamidoethylthio)methyl]-4-oxo-1-cyclopent-2-enecarboxylic acid IUPAC Name: 5-(1-acetamidoethylsulfanylmethyl)-4-oxocyclopent-2-ene-1-carboxylic acid Traditional Name: 5-[(1-acetamidoethylthio)methyl]-4-keto-cyclopent-2-ene-1-carboxylic acid Formula: C11H15NO4S MolecularWeight: 257.3061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)C)SCC1C(C=CC1=O)C(=O)O

Isomeric SMILES

CC(NC(=O)C)SCC1C(C=CC1=O)C(=O)O

InChI

InChI=1S/C11H15NO4S/c1-6(13)12-7(2)17-5-9-8(11(15)16)3-4-10(9)14/h3-4,7-9H,5H2,1-2H3,(H,12,13)(H,15,16)