methyl 2-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(1-cyclopropyl-2-imidazolyl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(1-cyclopropylimidazol-2-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=CN3C4CC4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=CN3C4CC4)C(=O)OC

InChI

InChI=1S/C19H19N3O2S/c1-12-14-5-3-4-6-15(14)21-16(17(12)18(23)24-2)11-25-19-20-9-10-22(19)13-7-8-13/h3-6,9-10,13H,7-8,11H2,1-2H3