2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]hexanoic acid

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]hexanoic acid Openeye Name: 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]hexanoic acid CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]hexanoic acid Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO3S/c1-3-4-5-12(15(19)20)17-14(18)9-21-13-7-6-11(16)8-10(13)2/h6-8,12H,3-5,9H2,1-2H3,(H,17,18)(H,19,20)