ethyl 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanyl-propanoate

Systemtic Name: ethyl 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanyl-propanoate Openeye Name: ethyl 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanyl-propanoate CAS Name: 2-mercapto-3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanylpropanoate Traditional Name: 2-mercapto-3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]propionic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-4-26-21(24)19(28)11-14-5-7-15(8-6-14)27-13(2)20-22-17-10-9-16(25-3)12-18(17)23-20/h5-10,12-13,19,28H,4,11H2,1-3H3,(H,22,23)