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

Systemtic Name: 3-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-bromoanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(4-bromoanilino)-2-keto-ethyl]thio]propionic acid Formula: C11H12BrNO3S MolecularWeight: 318.18688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSCCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSCCC(=O)O)Br

InChI

InChI=1S/C11H12BrNO3S/c12-8-1-3-9(4-2-8)13-10(14)7-17-6-5-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16)