2-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]thio]propionic acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO3S/c1-7-3-4-10(9(13)5-7)14-11(15)6-18-8(2)12(16)17/h3-5,8H,6H2,1-2H3,(H,14,15)(H,16,17)