ethyl 2,2-dimethyl-6-[4-[5-(2-methylimidazol-2-yl)sulfanylpentoxy]phenoxy]hexanoate

Systemtic Name: ethyl 2,2-dimethyl-6-[4-[5-(2-methylimidazol-2-yl)sulfanylpentoxy]phenoxy]hexanoate Openeye Name: ethyl 2,2-dimethyl-6-[4-[5-(2-methylimidazol-2-yl)sulfanylpentoxy]phenoxy]hexanoate CAS Name: 2,2-dimethyl-6-[4-[5-[(2-methyl-2-imidazolyl)thio]pentoxy]phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-6-[4-[5-(2-methylimidazol-2-yl)sulfanylpentoxy]phenoxy]hexanoate Traditional Name: 2,2-dimethyl-6-[4-[5-[(2-methylimidazol-2-yl)thio]pentoxy]phenoxy]hexanoic acid ethyl ester Formula: C25H38N2O4S MolecularWeight: 462.64522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCSC2(N=CC=N2)C

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCSC2(N=CC=N2)C

InChI

InChI=1S/C25H38N2O4S/c1-5-29-23(28)24(2,3)15-7-9-19-31-22-13-11-21(12-14-22)30-18-8-6-10-20-32-25(4)26-16-17-27-25/h11-14,16-17H,5-10,15,18-20H2,1-4H3