methyl 2-[5-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]thiophen-2-yl]benzoate

Systemtic Name: methyl 2-[5-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]thiophen-2-yl]benzoate Openeye Name: methyl 2-[5-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]-2-thienyl]benzoate CAS Name: 2-[5-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]-2-thiophenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]thiophen-2-yl]benzoate Traditional Name: 2-[5-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]-2-thienyl]benzoic acid methyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(S2)C3=CC=CC=C3C(=O)OC)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(S2)C3=CC=CC=C3C(=O)OC)C=O)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-3-4-9-19-23-20(22)17(13-25)24(19)12-14-10-11-18(28-14)15-7-5-6-8-16(15)21(26)27-2/h5-8,10-11,13H,3-4,9,12H2,1-2H3