[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC2=NC3=C(N2CCO)C=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC2=NC3=C(N2CCO)C=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN2O4S/c1-25-17-10-13(27-2)4-5-14(17)19(24)26-11-18-21-15-6-3-12(20)9-16(15)22(18)7-8-23/h3-6,9-10,23H,7-8,11H2,1-2H3