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

Systemtic Name: 2-[2-(4-bromophenyl)sulfanylethanoylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-3,3-dimethyl-butyric acid Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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