6-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]hexanoic acid Openeye Name: 6-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]hexanoic acid CAS Name: 6-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 6-[[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:

CC1=C(C=CC(=C1)Br)SCC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCCCCCC(=O)O

InChI

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