4-acetamido-5-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)-2,5-dihydrothiophene-3-carboxylic acid

Systemtic Name: 4-acetamido-5-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)-2,5-dihydrothiophene-3-carboxylic acid Openeye Name: 4-acetamido-5-(1-carboxybutyl)-2,5-dihydrothiophene-3-carboxylic acid CAS Name: 4-acetamido-5-(1-hydroxy-1-oxopentan-2-yl)-2,5-dihydrothiophene-3-carboxylic acid IUPAC Name: 4-acetamido-5-(1-hydroxy-1-oxopentan-2-yl)-2,5-dihydrothiophene-3-carboxylic acid Traditional Name: 4-acetamido-5-(1-carboxybutyl)-2,5-dihydrothiophene-3-carboxylic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1C(=C(CS1)C(=O)O)NC(=O)C)C(=O)O

Isomeric SMILES

CCCC(C1C(=C(CS1)C(=O)O)NC(=O)C)C(=O)O

InChI

InChI=1S/C12H17NO5S/c1-3-4-7(11(15)16)10-9(13-6(2)14)8(5-19-10)12(17)18/h7,10H,3-5H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)