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

Systemtic Name: methyl 2-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[1-(3-methoxyphenyl)-2-imidazolyl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[1-(3-methoxyphenyl)imidazol-2-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=CN3C4=CC(=CC=C4)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=CN3C4=CC(=CC=C4)OC)C(=O)OC

InChI

InChI=1S/C23H21N3O3S/c1-15-18-9-4-5-10-19(18)25-20(21(15)22(27)29-3)14-30-23-24-11-12-26(23)16-7-6-8-17(13-16)28-2/h4-13H,14H2,1-3H3