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

Systemtic Name: ethyl 4-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(O3)C4=CC=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(O3)C4=CC=CC=C4C)C

InChI

InChI=1S/C23H21N3O3S/c1-4-28-22(27)20-15(3)17-11-7-8-12-18(17)24-19(20)13-30-23-26-25-21(29-23)16-10-6-5-9-14(16)2/h5-12H,4,13H2,1-3H3