[9-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-9-oxidanylidene-nonyl] 2-(1,3-thiazol-4-yl)benzimidazole-1-carboxylate

Systemtic Name: [9-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-9-oxidanylidene-nonyl] 2-(1,3-thiazol-4-yl)benzimidazole-1-carboxylate Openeye Name: [9-[2-(4-bromophenyl)-2-oxo-ethoxy]-9-oxo-nonyl] 2-thiazol-4-ylbenzimidazole-1-carboxylate CAS Name: 2-(4-thiazolyl)-1-benzimidazolecarboxylic acid [9-[2-(4-bromophenyl)-2-oxoethoxy]-9-oxononyl] ester IUPAC Name: [9-[2-(4-bromophenyl)-2-oxoethoxy]-9-oxononyl] 2-(1,3-thiazol-4-yl)benzimidazole-1-carboxylate Traditional Name: 2-thiazol-4-ylbenzimidazole-1-carboxylic acid [9-[2-(4-bromophenyl)-2-keto-ethoxy]-9-keto-nonyl] ester Formula: C28H28BrN3O5S MolecularWeight: 598.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2C(=O)OCCCCCCCCC(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CSC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2C(=O)OCCCCCCCCC(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CSC=N4

InChI

InChI=1S/C28H28BrN3O5S/c29-21-14-12-20(13-15-21)25(33)17-37-26(34)11-5-3-1-2-4-8-16-36-28(35)32-24-10-7-6-9-22(24)31-27(32)23-18-38-19-30-23/h6-7,9-10,12-15,18-19H,1-5,8,11,16-17H2