4-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-[(2,5-dichlorophenyl)thio]-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-[(2,5-dichlorophenyl)thio]acetyl]-methyl-amino]butyric acid Formula: C13H15Cl2NO3S MolecularWeight: 336.2341

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSC1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C13H15Cl2NO3S/c1-16(6-2-3-13(18)19)12(17)8-20-11-7-9(14)4-5-10(11)15/h4-5,7H,2-3,6,8H2,1H3,(H,18,19)