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

Systemtic Name: O-ethyl 2-methyl-3-[4-[1-(6-oxidanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]propanethioate Openeye Name: O-ethyl 3-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methyl-propanethioate CAS Name: 3-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylpropanethioic acid O-ethyl ester IUPAC Name: O-ethyl 3-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylpropanethioate Traditional Name: 3-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methyl-propanethioic acid O-ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-4-25-21(27)13(2)11-15-5-8-17(9-6-15)26-14(3)20-22-18-10-7-16(24)12-19(18)23-20/h5-10,12-14,24H,4,11H2,1-3H3,(H,22,23)