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

Systemtic Name: 3-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]propanoic acid Openeye Name: 3-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]propanoic acid CAS Name: 3-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]propanoic acid Traditional Name: 3-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]propionic acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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