2-[2-(4-chlorophenyl)sulfanylethylamino]butanoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethylamino]butanoic acid Openeye Name: 2-[2-(4-chlorophenyl)sulfanylethylamino]butanoic acid CAS Name: 2-[2-[(4-chlorophenyl)thio]ethylamino]butanoic acid IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylethylamino]butanoic acid Traditional Name: 2-[2-[(4-chlorophenyl)thio]ethylamino]butyric acid Formula: C12H16ClNO2S MolecularWeight: 273.77894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CCC(C(=O)O)NCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H16ClNO2S/c1-2-11(12(15)16)14-7-8-17-10-5-3-9(13)4-6-10/h3-6,11,14H,2,7-8H2,1H3,(H,15,16)