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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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