2-methylpropyl 2-[3-(1-methylimidazol-2-yl)sulfanyl-2-oxidanyl-propoxy]benzoate hydrochloride

Systemtic Name: 2-methylpropyl 2-[3-(1-methylimidazol-2-yl)sulfanyl-2-oxidanyl-propoxy]benzoate hydrochloride Openeye Name: isobutyl 2-[2-hydroxy-3-(1-methylimidazol-2-yl)sulfanyl-propoxy]benzoate hydrochloride CAS Name: 2-[2-hydroxy-3-[(1-methyl-2-imidazolyl)thio]propoxy]benzoic acid 2-methylpropyl ester hydrochloride IUPAC Name: 2-methylpropyl 2-[2-hydroxy-3-(1-methylimidazol-2-yl)sulfanylpropoxy]benzoate hydrochloride Traditional Name: 2-[2-hydroxy-3-[(1-methylimidazol-2-yl)thio]propoxy]benzoic acid isobutyl ester hydrochloride Formula: C18H25ClN2O4S MolecularWeight: 400.9201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC=C1OCC(CSC2=NC=CN2C)O.Cl

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC=C1OCC(CSC2=NC=CN2C)O.Cl

InChI

InChI=1S/C18H24N2O4S.ClH/c1-13(2)10-24-17(22)15-6-4-5-7-16(15)23-11-14(21)12-25-18-19-8-9-20(18)3;/h4-9,13-14,21H,10-12H2,1-3H3;1H