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

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

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

Isomeric SMILES

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

InChI

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