methyl 2-ethylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylate

Systemtic Name: methyl 2-ethylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylate Openeye Name: methyl 3-benzyl-2-ethylsulfanyl-imidazole-4-carboxylate CAS Name: 2-(ethylthio)-3-(phenylmethyl)-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-2-ethylsulfanylimidazole-4-carboxylate Traditional Name: 3-benzyl-2-(ethylthio)imidazole-4-carboxylic acid methyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(N1CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCSC1=NC=C(N1CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H16N2O2S/c1-3-19-14-15-9-12(13(17)18-2)16(14)10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3