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

Systemtic Name: 3-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylamino]butanoic acid Openeye Name: 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 3-[[2-[(2,5-dichlorophenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3-[[2-[(2,5-dichlorophenyl)thio]acetyl]amino]butyric acid Formula: C12H13Cl2NO3S MolecularWeight: 322.20752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2NO3S/c1-7(4-12(17)18)15-11(16)6-19-10-5-8(13)2-3-9(10)14/h2-3,5,7H,4,6H2,1H3,(H,15,16)(H,17,18)