ethyl 5-acetyloxy-2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromanyl-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromo-1-phenyl-indole-3-carboxylate CAS Name: 5-acetyloxy-2-[(1H-benzimidazol-2-ylthio)methyl]-6-bromo-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromo-1-phenylindole-3-carboxylate Traditional Name: 5-acetoxy-2-[(1H-benzimidazol-2-ylthio)methyl]-6-bromo-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C27H22BrN3O4S MolecularWeight: 564.45028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H22BrN3O4S/c1-3-34-26(33)25-18-13-24(35-16(2)32)19(28)14-22(18)31(17-9-5-4-6-10-17)23(25)15-36-27-29-20-11-7-8-12-21(20)30-27/h4-14H,3,15H2,1-2H3,(H,29,30)