3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[5-(4-bromophenyl)-2-furyl]methylsulfanyl]propanoic acid CAS Name: 3-[[5-(4-bromophenyl)-2-furanyl]methylthio]propanoic acid IUPAC Name: 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[5-(4-bromophenyl)-2-furyl]methylthio]propionic acid Formula: C14H13BrO3S MolecularWeight: 341.22022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)CSCCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)CSCCC(=O)O)Br

InChI

InChI=1S/C14H13BrO3S/c15-11-3-1-10(2-4-11)13-6-5-12(18-13)9-19-8-7-14(16)17/h1-6H,7-9H2,(H,16,17)