5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-6-methoxy-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-6-methoxy-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-6-methoxy-benzothiophene-2-carboxylic acid CAS Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-6-methoxy-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-6-methoxy-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]-6-methoxy-benzothiophene-2-carboxylic acid Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=C(C=C3C(=C2)C=C(S3)C(=O)O)OC)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=C(C=C3C(=C2)C=C(S3)C(=O)O)OC)CO)Cl

InChI

InChI=1S/C19H21ClN2O4S/c1-3-4-5-17-21-18(20)13(10-23)22(17)9-12-6-11-7-16(19(24)25)27-15(11)8-14(12)26-2/h6-8,23H,3-5,9-10H2,1-2H3,(H,24,25)