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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thian-4-yl]-2-(4-chlorophenyl)-6-[(3-methoxyphenyl)methoxy]-4-phenyl-benzimidazole-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-1-(1,1-dioxothian-4-yl)-6-[(3-methoxyphenyl)methoxy]-4-phenyl-benzimidazole-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-1-(1,1-dioxo-4-thianyl)-6-[(3-methoxyphenyl)methoxy]-4-phenyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-1-(1,1-dioxothian-4-yl)-6-[(3-methoxyphenyl)methoxy]-4-phenylbenzimidazole-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-1-(1,1-diketothian-4-yl)-6-m-anisyloxy-4-phenyl-benzimidazole-5-carboxylic acid Formula: C33H29ClN2O6S MolecularWeight: 617.11116

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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)C5CCS(=O)(=O)CC5)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)C5CCS(=O)(=O)CC5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C33H29ClN2O6S/c1-41-26-9-5-6-21(18-26)20-42-28-19-27-31(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)25-14-16-43(39,40)17-15-25/h2-13,18-19,25H,14-17,20H2,1H3,(H,37,38)