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

Systemtic Name: ethyl 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(O3)C4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(O3)C4CCCCC4)C

InChI

InChI=1S/C22H25N3O3S/c1-3-27-21(26)19-14(2)16-11-7-8-12-17(16)23-18(19)13-29-22-25-24-20(28-22)15-9-5-4-6-10-15/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3