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

Systemtic Name: 2-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylamino]butanoic acid Openeye Name: 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 2-[[2-[(2,5-dichlorophenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 2-[[2-[(2,5-dichlorophenyl)thio]acetyl]amino]butyric acid Formula: C12H13Cl2NO3S MolecularWeight: 322.20752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2NO3S/c1-2-9(12(17)18)15-11(16)6-19-10-5-7(13)3-4-8(10)14/h3-5,9H,2,6H2,1H3,(H,15,16)(H,17,18)