2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methyl-pentanoic acid Openeye Name: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methyl-pentanoic acid CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methylpentanoic acid Traditional Name: 2-[2-[(4-chlorophenyl)thio]propanoylamino]-2-methyl-valeric acid Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO3S/c1-4-9-15(3,14(19)20)17-13(18)10(2)21-12-7-5-11(16)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,17,18)(H,19,20)