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

Systemtic Name: ethyl 2-[5-(hydroxymethyl)-1-phenethyl-imidazol-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[5-(hydroxymethyl)-1-phenethyl-imidazol-2-yl]sulfanylpropanoate CAS Name: 2-[[5-(hydroxymethyl)-1-phenethyl-2-imidazolyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(hydroxymethyl)-1-phenethylimidazol-2-yl]sulfanylpropanoate Traditional Name: 2-[(5-methylol-1-phenethyl-imidazol-2-yl)thio]propionic acid ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC=C(N1CCC2=CC=CC=C2)CO

Isomeric SMILES

CCOC(=O)C(C)SC1=NC=C(N1CCC2=CC=CC=C2)CO

InChI

InChI=1S/C17H22N2O3S/c1-3-22-16(21)13(2)23-17-18-11-15(12-20)19(17)10-9-14-7-5-4-6-8-14/h4-8,11,13,20H,3,9-10,12H2,1-2H3