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

Systemtic Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromanyl-5-methoxy-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-phenyl-indole-3-carboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6-bromo-5-methoxy-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6-bromo-5-methoxy-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C26H22BrN3O3S MolecularWeight: 536.44018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrN3O3S/c1-3-33-25(31)24-17-13-23(32-2)18(27)14-21(17)30(16-9-5-4-6-10-16)22(24)15-34-26-28-19-11-7-8-12-20(19)29-26/h4-14H,3,15H2,1-2H3,(H,28,29)