3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 3-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 3-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]butyric acid Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C)CC(=O)O

InChI

InChI=1S/C14H18BrNO3S/c1-8-5-12(9(2)4-11(8)15)20-7-13(17)16-10(3)6-14(18)19/h4-5,10H,6-7H2,1-3H3,(H,16,17)(H,18,19)