methyl 2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoate Openeye Name: methyl 2-(1-benzylimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(1-benzylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzylimidazol-2-yl)thio]acetic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=CN1CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CSC1=NC=CN1CC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2S/c1-17-12(16)10-18-13-14-7-8-15(13)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3