5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzothiophene-2,3-dicarboxylic acid

Systemtic Name: 5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzothiophene-2,3-dicarboxylic acid Openeye Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzothiophene-2,3-dicarboxylic acid CAS Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-1-benzothiophene-2,3-dicarboxylic acid IUPAC Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzothiophene-2,3-dicarboxylic acid Traditional Name: 5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]benzothiophene-2,3-dicarboxylic acid Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)SC(=C3C(=O)O)C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)SC(=C3C(=O)O)C(=O)O)CO)Cl

InChI

InChI=1S/C19H19ClN2O5S/c1-2-3-4-14-21-17(20)12(9-23)22(14)8-10-5-6-13-11(7-10)15(18(24)25)16(28-13)19(26)27/h5-7,23H,2-4,8-9H2,1H3,(H,24,25)(H,26,27)