ethyl 6-(1-imidazol-1-yl-5-phenyl-pentan-2-yl)sulfanylhexanoate

Systemtic Name: ethyl 6-(1-imidazol-1-yl-5-phenyl-pentan-2-yl)sulfanylhexanoate Openeye Name: ethyl 6-[1-(imidazol-1-ylmethyl)-4-phenyl-butyl]sulfanylhexanoate CAS Name: 6-[[1-(1-imidazolyl)-5-phenylpentan-2-yl]thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-(1-imidazol-1-yl-5-phenylpentan-2-yl)sulfanylhexanoate Traditional Name: 6-[[1-(imidazol-1-ylmethyl)-4-phenyl-butyl]thio]hexanoic acid ethyl ester Formula: C22H32N2O2S MolecularWeight: 388.56668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCSC(CCCC1=CC=CC=C1)CN2C=CN=C2

Isomeric SMILES

CCOC(=O)CCCCCSC(CCCC1=CC=CC=C1)CN2C=CN=C2

InChI

InChI=1S/C22H32N2O2S/c1-2-26-22(25)14-7-4-8-17-27-21(18-24-16-15-23-19-24)13-9-12-20-10-5-3-6-11-20/h3,5-6,10-11,15-16,19,21H,2,4,7-9,12-14,17-18H2,1H3