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

Systemtic Name: ethyl 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-sulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-sulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-mercapto-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-sulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-mercapto-imidazole-4-carboxylic acid ethyl ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)S

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)S

InChI

InChI=1S/C18H21ClN2O4S/c1-3-5-6-15-20-17(26)16(18(22)23-4-2)21(15)9-11-7-13-14(8-12(11)19)25-10-24-13/h7-8,26H,3-6,9-10H2,1-2H3