methyl 1-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: methyl 1-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-(methylthio)-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-1-piperonyl-imidazole-4-carboxylic acid methyl ester Formula: C14H14N2O4S MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=N1)SC)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CN(C(=N1)SC)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H14N2O4S/c1-18-13(17)10-7-16(14(15-10)21-2)6-9-3-4-11-12(5-9)20-8-19-11/h3-5,7H,6,8H2,1-2H3