2-[2-(4-bromophenyl)sulfanylethanoylamino]hexanoic acid

Systemtic Name: 2-[2-(4-bromophenyl)sulfanylethanoylamino]hexanoic acid Openeye Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]hexanoic acid CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]hexanoic acid Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)Br

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H18BrNO3S/c1-2-3-4-12(14(18)19)16-13(17)9-20-11-7-5-10(15)6-8-11/h5-8,12H,2-4,9H2,1H3,(H,16,17)(H,18,19)