methyl 4-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

InChI

InChI=1S/C22H19N3O3S/c1-13-8-4-5-9-15(13)20-24-25-22(28-20)29-12-18-19(21(26)27-3)14(2)16-10-6-7-11-17(16)23-18/h4-11H,12H2,1-3H3