4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]-methyl-amino]butyric acid Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C15H20BrNO3S/c1-10-8-13(11(2)7-12(10)16)21-9-14(18)17(3)6-4-5-15(19)20/h7-8H,4-6,9H2,1-3H3,(H,19,20)