3-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 3-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 3-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 3-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]butyric acid Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3S/c1-8-5-10(14)3-4-11(8)19-7-12(16)15-9(2)6-13(17)18/h3-5,9H,6-7H2,1-2H3,(H,15,16)(H,17,18)