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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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