2-methylpropyl 4-[3-(1-methylimidazol-2-yl)sulfanyl-2-oxidanyl-propoxy]benzoate

Systemtic Name: 2-methylpropyl 4-[3-(1-methylimidazol-2-yl)sulfanyl-2-oxidanyl-propoxy]benzoate Openeye Name: isobutyl 4-[2-hydroxy-3-(1-methylimidazol-2-yl)sulfanyl-propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[(1-methyl-2-imidazolyl)thio]propoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[2-hydroxy-3-(1-methylimidazol-2-yl)sulfanylpropoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[(1-methylimidazol-2-yl)thio]propoxy]benzoic acid isobutyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=CN2C)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=CN2C)O

InChI

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