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

Systemtic Name: 2-(4-chlorophenyl)-6-[(3-methoxyphenyl)methoxy]-1-(1-oxidanylidenethian-4-yl)-4-phenyl-benzimidazole-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-6-[(3-methoxyphenyl)methoxy]-1-(1-oxothian-4-yl)-4-phenyl-benzimidazole-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-6-[(3-methoxyphenyl)methoxy]-1-(1-oxo-4-thianyl)-4-phenyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-6-[(3-methoxyphenyl)methoxy]-1-(1-oxothian-4-yl)-4-phenylbenzimidazole-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-1-(1-ketothian-4-yl)-6-m-anisyloxy-4-phenyl-benzimidazole-5-carboxylic acid Formula: C33H29ClN2O5S MolecularWeight: 601.11176

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

InChI

InChI=1S/C33H29ClN2O5S/c1-40-26-9-5-6-21(18-26)20-41-28-19-27-31(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)25-14-16-42(39)17-15-25/h2-13,18-19,25H,14-17,20H2,1H3,(H,37,38)