3-[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl]thio]propionic acid Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3S/c1-9(10-2-4-11(14)5-3-10)15-12(16)8-19-7-6-13(17)18/h2-5,9H,6-8H2,1H3,(H,15,16)(H,17,18)