2-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(2,5-dichlorophenyl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(2,5-dichlorophenyl)thio]acetyl]amino]-3-methyl-butyric acid Formula: C13H15Cl2NO3S MolecularWeight: 336.2341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CSC1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CSC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C13H15Cl2NO3S/c1-7(2)12(13(18)19)16-11(17)6-20-10-5-8(14)3-4-9(10)15/h3-5,7,12H,6H2,1-2H3,(H,16,17)(H,18,19)