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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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