2-acetamido-4-sulfanyl-butanoic acid; 2-(4-chloranylphenoxy)-2-methyl-propanoic acid

Systemtic Name: 2-acetamido-4-sulfanyl-butanoic acid; 2-(4-chloranylphenoxy)-2-methyl-propanoic acid Openeye Name: 2-acetamido-4-sulfanyl-butanoic acid; 2-(4-chlorophenoxy)-2-methyl-propanoic acid CAS Name: 2-acetamido-4-mercaptobutanoic acid; 2-(4-chlorophenoxy)-2-methylpropanoic acid IUPAC Name: 2-acetamido-4-sulfanylbutanoic acid; 2-(4-chlorophenoxy)-2-methylpropanoic acid Traditional Name: 2-acetamido-4-mercapto-butyric acid; 2-(4-chlorophenoxy)-2-methyl-propionic acid Formula: C16H22ClNO6S MolecularWeight: 391.86698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCS)C(=O)O.CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(=O)NC(CCS)C(=O)O.CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H11ClO3.C6H11NO3S/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;1-4(8)7-5(2-3-11)6(9)10/h3-6H,1-2H3,(H,12,13);5,11H,2-3H2,1H3,(H,7,8)(H,9,10)