2-[(3,4-dichlorophenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(3,4-dichlorobenzoyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[(3,4-dichlorophenyl)-oxomethyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(3,4-dichlorobenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(3,4-dichlorobenzoyl)amino]-3-mercapto-3-methyl-butyric acid Formula: C12H13Cl2NO3S MolecularWeight: 322.20752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl)S

InChI

InChI=1S/C12H13Cl2NO3S/c1-12(2,19)9(11(17)18)15-10(16)6-3-4-7(13)8(14)5-6/h3-5,9,19H,1-2H3,(H,15,16)(H,17,18)