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

Systemtic Name: 3-[2-(4-bromophenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 3-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3-[[2-[(4-bromophenyl)thio]acetyl]amino]butyric acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO3S/c1-8(6-12(16)17)14-11(15)7-18-10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)