methyl 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)C)C

InChI

InChI=1S/C22H27N3O2S/c1-6-7-12-25-16(4)15(3)23-22(25)28-13-19-20(21(26)27-5)14(2)17-10-8-9-11-18(17)24-19/h8-11H,6-7,12-13H2,1-5H3