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

Systemtic Name: ethyl 4-methyl-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 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)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(O3)CC4=CC=CC=C4)C

InChI

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