2-[4-[(4-bromophenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(4-bromophenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoic acid Openeye Name: 2-[4-(4-bromoanilino)-4-oxo-butyl]sulfanylacetic acid CAS Name: 2-[[4-(4-bromoanilino)-4-oxobutyl]thio]acetic acid IUPAC Name: 2-[4-(4-bromoanilino)-4-oxobutyl]sulfanylacetic acid Traditional Name: 2-[[4-(4-bromoanilino)-4-keto-butyl]thio]acetic acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO3S/c13-9-3-5-10(6-4-9)14-11(15)2-1-7-18-8-12(16)17/h3-6H,1-2,7-8H2,(H,14,15)(H,16,17)