ethyl 4-[5-(hydroxymethyl)-1-phenethyl-imidazol-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[5-(hydroxymethyl)-1-phenethyl-imidazol-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[5-(hydroxymethyl)-1-phenethyl-imidazol-2-yl]sulfanylbutanoate CAS Name: 4-[[5-(hydroxymethyl)-1-phenethyl-2-imidazolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-(hydroxymethyl)-1-phenethylimidazol-2-yl]sulfanylbutanoate Traditional Name: 4-[(5-methylol-1-phenethyl-imidazol-2-yl)thio]butyric acid ethyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC=C(N1CCC2=CC=CC=C2)CO

Isomeric SMILES

CCOC(=O)CCCSC1=NC=C(N1CCC2=CC=CC=C2)CO

InChI

InChI=1S/C18H24N2O3S/c1-2-23-17(22)9-6-12-24-18-19-13-16(14-21)20(18)11-10-15-7-4-3-5-8-15/h3-5,7-8,13,21H,2,6,9-12,14H2,1H3