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

Systemtic Name: methyl 2-methylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylate Openeye Name: methyl 3-benzyl-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-(phenylmethyl)-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-benzyl-2-(methylthio)imidazole-4-carboxylic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N1CC2=CC=CC=C2)SC

Isomeric SMILES

COC(=O)C1=CN=C(N1CC2=CC=CC=C2)SC

InChI

InChI=1S/C13H14N2O2S/c1-17-12(16)11-8-14-13(18-2)15(11)9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3