methyl 2-[5-(hydroxymethyl)-1-(1-phenylethyl)imidazol-2-yl]sulfanylpropanoate

Systemtic Name: methyl 2-[5-(hydroxymethyl)-1-(1-phenylethyl)imidazol-2-yl]sulfanylpropanoate Openeye Name: methyl 2-[5-(hydroxymethyl)-1-(1-phenylethyl)imidazol-2-yl]sulfanylpropanoate CAS Name: 2-[[5-(hydroxymethyl)-1-(1-phenylethyl)-2-imidazolyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[5-(hydroxymethyl)-1-(1-phenylethyl)imidazol-2-yl]sulfanylpropanoate Traditional Name: 2-[[5-methylol-1-(1-phenylethyl)imidazol-2-yl]thio]propionic acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=CN=C2SC(C)C(=O)OC)CO

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=CN=C2SC(C)C(=O)OC)CO

InChI

InChI=1S/C16H20N2O3S/c1-11(13-7-5-4-6-8-13)18-14(10-19)9-17-16(18)22-12(2)15(20)21-3/h4-9,11-12,19H,10H2,1-3H3