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

Systemtic Name: methyl 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C28H23N3O4S MolecularWeight: 497.56492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C28H23N3O4S/c1-18-9-8-12-20(15-18)34-16-24-30-31-28(35-24)36-17-23-26(27(32)33-2)25(19-10-4-3-5-11-19)21-13-6-7-14-22(21)29-23/h3-15H,16-17H2,1-2H3