2-methylpropyl 4-[[5-(2-oxidanylpropylsulfanyl)-1H-imidazol-2-yl]oxy]benzoate hydrochloride

Systemtic Name: 2-methylpropyl 4-[[5-(2-oxidanylpropylsulfanyl)-1H-imidazol-2-yl]oxy]benzoate hydrochloride Openeye Name: isobutyl 4-[[5-(2-hydroxypropylsulfanyl)-1H-imidazol-2-yl]oxy]benzoate hydrochloride CAS Name: 4-[[5-(2-hydroxypropylthio)-1H-imidazol-2-yl]oxy]benzoic acid 2-methylpropyl ester hydrochloride IUPAC Name: 2-methylpropyl 4-[[5-(2-hydroxypropylsulfanyl)-1H-imidazol-2-yl]oxy]benzoate hydrochloride Traditional Name: 4-[[5-(2-hydroxypropylthio)-1H-imidazol-2-yl]oxy]benzoic acid isobutyl ester hydrochloride Formula: C17H23ClN2O4S MolecularWeight: 386.89352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OC2=NC=C(N2)SCC(C)O.Cl

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OC2=NC=C(N2)SCC(C)O.Cl

InChI

InChI=1S/C17H22N2O4S.ClH/c1-11(2)9-22-16(21)13-4-6-14(7-5-13)23-17-18-8-15(19-17)24-10-12(3)20;/h4-8,11-12,20H,9-10H2,1-3H3,(H,18,19);1H