3-[2-(2-chlorophenyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 3-[2-(2-chlorophenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 3-[[2-(2-chlorophenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 3-[[2-[(2-chlorophenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(2-chlorophenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3-[[2-[(2-chlorophenyl)thio]acetyl]amino]butyric acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CSC1=CC=CC=C1Cl

Isomeric SMILES

CC(CC(=O)O)NC(=O)CSC1=CC=CC=C1Cl

InChI

InChI=1S/C12H14ClNO3S/c1-8(6-12(16)17)14-11(15)7-18-10-5-3-2-4-9(10)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)