3-[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl]thio]propionic acid Formula: C12H13Br2NO3S MolecularWeight: 411.10952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)CSCCC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)CSCCC(=O)O)Br

InChI

InChI=1S/C12H13Br2NO3S/c1-7-4-8(13)12(9(14)5-7)15-10(16)6-19-3-2-11(17)18/h4-5H,2-3,6H2,1H3,(H,15,16)(H,17,18)