methyl 2-[3-(2-methylpropyl)-2-methylsulfanyl-imidazol-4-yl]benzoate

Systemtic Name: methyl 2-[3-(2-methylpropyl)-2-methylsulfanyl-imidazol-4-yl]benzoate Openeye Name: methyl 2-(3-isobutyl-2-methylsulfanyl-imidazol-4-yl)benzoate CAS Name: 2-[3-(2-methylpropyl)-2-(methylthio)-4-imidazolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(2-methylpropyl)-2-methylsulfanylimidazol-4-yl]benzoate Traditional Name: 2-[3-isobutyl-2-(methylthio)imidazol-4-yl]benzoic acid methyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1SC)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)CN1C(=CN=C1SC)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H20N2O2S/c1-11(2)10-18-14(9-17-16(18)21-4)12-7-5-6-8-13(12)15(19)20-3/h5-9,11H,10H2,1-4H3