ethyl 1-(2-oxidanyl-5-quinolin-2-ylsulfanyl-pentyl)imidazole-4-carboxylate

Systemtic Name: ethyl 1-(2-oxidanyl-5-quinolin-2-ylsulfanyl-pentyl)imidazole-4-carboxylate Openeye Name: ethyl 1-[2-hydroxy-5-(2-quinolylsulfanyl)pentyl]imidazole-4-carboxylate CAS Name: 1-[2-hydroxy-5-(2-quinolinylthio)pentyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-hydroxy-5-quinolin-2-ylsulfanylpentyl)imidazole-4-carboxylate Traditional Name: 1-[2-hydroxy-5-(2-quinolylthio)pentyl]imidazole-4-carboxylic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=N1)CC(CCCSC2=NC3=CC=CC=C3C=C2)O

Isomeric SMILES

CCOC(=O)C1=CN(C=N1)CC(CCCSC2=NC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C20H23N3O3S/c1-2-26-20(25)18-13-23(14-21-18)12-16(24)7-5-11-27-19-10-9-15-6-3-4-8-17(15)22-19/h3-4,6,8-10,13-14,16,24H,2,5,7,11-12H2,1H3