O-ethyl 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methyl-propanethioate

Systemtic Name: O-ethyl 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methyl-propanethioate Openeye Name: O-ethyl 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methyl-propanethioate CAS Name: 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylpropanethioic acid O-ethyl ester IUPAC Name: O-ethyl 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylpropanethioate Traditional Name: 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methyl-propanethioic acid O-ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)C(C)CC1=CC=C(C=C1)OC(C)C2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CCOC(=S)C(C)CC1=CC=C(C=C1)OC(C)C2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C22H26N2O3S/c1-5-26-22(28)14(2)12-16-6-8-17(9-7-16)27-15(3)21-23-19-11-10-18(25-4)13-20(19)24-21/h6-11,13-15H,5,12H2,1-4H3,(H,23,24)