ethyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-propyl-5-sulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-propyl-5-sulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-5-sulfanyl-imidazole-4-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-mercapto-2-propyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-5-sulfanylimidazole-4-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-mercapto-2-propyl-imidazole-4-carboxylic acid ethyl ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)S

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)S

InChI

InChI=1S/C17H19ClN2O4S/c1-3-5-14-19-16(25)15(17(21)22-4-2)20(14)8-10-6-12-13(7-11(10)18)24-9-23-12/h6-7,25H,3-5,8-9H2,1-2H3