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

Systemtic Name: 4-[2-(4-chlorophenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 4-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 4-[[2-[(4-chlorophenyl)thio]acetyl]amino]butyric acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NCCCC(=O)O)Cl

InChI

InChI=1S/C12H14ClNO3S/c13-9-3-5-10(6-4-9)18-8-11(15)14-7-1-2-12(16)17/h3-6H,1-2,7-8H2,(H,14,15)(H,16,17)