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

Systemtic Name: 4-[2-(4-chlorophenyl)sulfanylethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(4-chlorophenyl)sulfanylacetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-[(4-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=C(C=C1)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3S/c1-15(8-2-3-13(17)18)12(16)9-19-11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,17,18)