5-(1-acetamidoethylsulfanyl)-2-methyl-3-oxidanylidene-cyclopentene-1-carboxylic acid

Systemtic Name: 5-(1-acetamidoethylsulfanyl)-2-methyl-3-oxidanylidene-cyclopentene-1-carboxylic acid Openeye Name: 5-(1-acetamidoethylsulfanyl)-2-methyl-3-oxo-cyclopentene-1-carboxylic acid CAS Name: 5-(1-acetamidoethylthio)-2-methyl-3-oxo-1-cyclopentenecarboxylic acid IUPAC Name: 5-(1-acetamidoethylsulfanyl)-2-methyl-3-oxocyclopentene-1-carboxylic acid Traditional Name: 5-(1-acetamidoethylthio)-3-keto-2-methyl-cyclopentene-1-carboxylic acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC1=O)SC(C)NC(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(CC1=O)SC(C)NC(=O)C)C(=O)O

InChI

InChI=1S/C11H15NO4S/c1-5-8(14)4-9(10(5)11(15)16)17-7(3)12-6(2)13/h7,9H,4H2,1-3H3,(H,12,13)(H,15,16)