5-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]-3-chloranyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]-3-chloranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]-3-chloro-benzothiophene-2-carboxylic acid CAS Name: 5-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]-3-chloro-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]-3-chloro-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]-3-chloro-benzothiophene-2-carboxylic acid Formula: C18H16Cl2N2O3S MolecularWeight: 411.30224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)SC(=C3Cl)C(=O)O)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)SC(=C3Cl)C(=O)O)C=O)Cl

InChI

InChI=1S/C18H16Cl2N2O3S/c1-2-3-4-14-21-17(20)12(9-23)22(14)8-10-5-6-13-11(7-10)15(19)16(26-13)18(24)25/h5-7,9H,2-4,8H2,1H3,(H,24,25)