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

Systemtic Name: 5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzothiophene-2-carboxylic acid CAS Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]benzothiophene-2-carboxylic acid Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)SC(=C3)C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)SC(=C3)C(=O)O)CO)Cl

InChI

InChI=1S/C18H19ClN2O3S/c1-2-3-4-16-20-17(19)13(10-22)21(16)9-11-5-6-14-12(7-11)8-15(25-14)18(23)24/h5-8,22H,2-4,9-10H2,1H3,(H,23,24)