2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3,3-dimethylbutanoic acid Traditional Name: 2-[2-[(4-chlorophenyl)thio]propanoylamino]-3,3-dimethyl-butyric acid Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C(=O)O)C(C)(C)C)SC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C(=O)NC(C(=O)O)C(C)(C)C)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H20ClNO3S/c1-9(21-11-7-5-10(16)6-8-11)13(18)17-12(14(19)20)15(2,3)4/h5-9,12H,1-4H3,(H,17,18)(H,19,20)