2-(4-chlorophenyl)-6-[(3-methoxyphenyl)methoxy]-4-phenyl-1-(thian-4-yl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-6-[(3-methoxyphenyl)methoxy]-4-phenyl-1-(thian-4-yl)benzimidazole-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-6-[(3-methoxyphenyl)methoxy]-4-phenyl-1-tetrahydrothiopyran-4-yl-benzimidazole-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-6-[(3-methoxyphenyl)methoxy]-4-phenyl-1-(4-thianyl)-5-benzimidazolecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-6-[(3-methoxyphenyl)methoxy]-4-phenyl-1-(thian-4-yl)benzimidazole-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-6-m-anisyloxy-4-phenyl-1-tetrahydrothiopyran-4-yl-benzimidazole-5-carboxylic acid Formula: C33H29ClN2O4S MolecularWeight: 585.11236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2=C(C(=C3C(=C2)N(C(=N3)C4=CC=C(C=C4)Cl)C5CCSCC5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)COC2=C(C(=C3C(=C2)N(C(=N3)C4=CC=C(C=C4)Cl)C5CCSCC5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C33H29ClN2O4S/c1-39-26-9-5-6-21(18-26)20-40-28-19-27-31(29(30(28)33(37)38)22-7-3-2-4-8-22)35-32(23-10-12-24(34)13-11-23)36(27)25-14-16-41-17-15-25/h2-13,18-19,25H,14-17,20H2,1H3,(H,37,38)