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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(O3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(O3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H19N3O3S/c1-14-16-10-6-7-11-17(16)23-18(20(14)21(26)27-2)13-29-22-25-24-19(28-22)12-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3