2-butyl-3-[(2-carboxy-3-chloranyl-1-benzothiophen-6-yl)methyl]benzimidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[(2-carboxy-3-chloranyl-1-benzothiophen-6-yl)methyl]benzimidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(2-carboxy-3-chloro-benzothiophen-6-yl)methyl]benzimidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(2-carboxy-3-chloro-1-benzothiophen-6-yl)methyl]-4-benzimidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(2-carboxy-3-chloro-1-benzothiophen-6-yl)methyl]benzimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[(2-carboxy-3-chloro-benzothiophen-6-yl)methyl]benzimidazole-4-carboxylic acid Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC4=C(C=C3)C(=C(S4)C(=O)O)Cl)C(=O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC4=C(C=C3)C(=C(S4)C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C22H19ClN2O4S/c1-2-3-7-17-24-15-6-4-5-14(21(26)27)19(15)25(17)11-12-8-9-13-16(10-12)30-20(18(13)23)22(28)29/h4-6,8-10H,2-3,7,11H2,1H3,(H,26,27)(H,28,29)