2-[4-(thian-4-ylcarbonyl)phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-(thian-4-ylcarbonyl)phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(tetrahydrothiopyran-4-carbonyl)phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[oxo(4-thianyl)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-(thiane-4-carbonyl)phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-(tetrahydrothiopyran-4-carbonyl)phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1C(=O)C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O

Isomeric SMILES

C1CSCCC1C(=O)C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C20H18N2O3S/c23-18(13-7-9-26-10-8-13)12-1-3-14(4-2-12)19-21-16-6-5-15(20(24)25)11-17(16)22-19/h1-6,11,13H,7-10H2,(H,21,22)(H,24,25)