methyl 2-[1,2-dimethyl-5-(3-methylphenyl)sulfanyl-imidazol-4-yl]propanoate

Systemtic Name: methyl 2-[1,2-dimethyl-5-(3-methylphenyl)sulfanyl-imidazol-4-yl]propanoate Openeye Name: methyl 2-[1,2-dimethyl-5-(m-tolylsulfanyl)imidazol-4-yl]propanoate CAS Name: 2-[1,2-dimethyl-5-[(3-methylphenyl)thio]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-[1,2-dimethyl-5-(3-methylphenyl)sulfanylimidazol-4-yl]propanoate Traditional Name: 2-[1,2-dimethyl-5-(m-tolylthio)imidazol-4-yl]propionic acid methyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=C(N=C(N2C)C)C(C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)SC2=C(N=C(N2C)C)C(C)C(=O)OC

InChI

InChI=1S/C16H20N2O2S/c1-10-7-6-8-13(9-10)21-15-14(11(2)16(19)20-5)17-12(3)18(15)4/h6-9,11H,1-5H3