4-[2-(2-chlorophenyl)sulfanylethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-(2-chlorophenyl)sulfanylethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(2-chlorophenyl)sulfanylacetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-[(2-chlorophenyl)thio]-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-[(2-chlorophenyl)thio]acetyl]-methyl-amino]butyric acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSC1=CC=CC=C1Cl

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSC1=CC=CC=C1Cl

InChI

InChI=1S/C13H16ClNO3S/c1-15(8-4-7-13(17)18)12(16)9-19-11-6-3-2-5-10(11)14/h2-3,5-6H,4,7-9H2,1H3,(H,17,18)