O-[4-[1-(6-oxidanyl-1H-benzimidazol-2-yl)ethoxy]phenyl] 2-methylpropanethioate hydrochloride

Systemtic Name: O-[4-[1-(6-oxidanyl-1H-benzimidazol-2-yl)ethoxy]phenyl] 2-methylpropanethioate hydrochloride Openeye Name: O-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl] 2-methylpropanethioate hydrochloride CAS Name: 2-methylpropanethioic acid O-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl] ester hydrochloride IUPAC Name: O-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl] 2-methylpropanethioate hydrochloride Traditional Name: 2-methylpropanethioic acid O-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl] ester hydrochloride Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=S)OC1=CC=C(C=C1)OC(C)C2=NC3=C(N2)C=C(C=C3)O.Cl

Isomeric SMILES

CC(C)C(=S)OC1=CC=C(C=C1)OC(C)C2=NC3=C(N2)C=C(C=C3)O.Cl

InChI

InChI=1S/C19H20N2O3S.ClH/c1-11(2)19(25)24-15-7-5-14(6-8-15)23-12(3)18-20-16-9-4-13(22)10-17(16)21-18;/h4-12,22H,1-3H3,(H,20,21);1H