methyl 3-[4-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]phenyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]phenyl]thiophene-2-carboxylate Openeye Name: methyl 3-[4-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]phenyl]thiophene-2-carboxylate CAS Name: 3-[4-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]phenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]phenyl]thiophene-2-carboxylate Traditional Name: 3-[4-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]phenyl]thiophene-2-carboxylic acid methyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(SC=C3)C(=O)OC)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(SC=C3)C(=O)OC)C=O)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-3-4-5-18-23-20(22)17(13-25)24(18)12-14-6-8-15(9-7-14)16-10-11-28-19(16)21(26)27-2/h6-11,13H,3-5,12H2,1-2H3