3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-propanoic acid

Systemtic Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-propanoic acid CAS Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)thio]-2-methylpropanoic acid IUPAC Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropanoic acid Traditional Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)thio]-2-methyl-propionic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=C(N1)C=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(CSC1=NC2=C(N1)C=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C12H14N2O3S/c1-7(11(15)16)6-18-12-13-9-4-3-8(17-2)5-10(9)14-12/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,16)