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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO3S/c1-9-7-12(10(2)6-11(9)15)20-8-13(17)16-5-3-4-14(18)19/h6-7H,3-5,8H2,1-2H3,(H,16,17)(H,18,19)