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

Systemtic Name: ethyl 5-acetyloxy-2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-phenyl-indole-3-carboxylate CAS Name: 5-acetyloxy-2-[(1H-benzimidazol-2-ylthio)methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-phenylindole-3-carboxylate Traditional Name: 5-acetoxy-2-[(1H-benzimidazol-2-ylthio)methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H23N3O4S/c1-3-33-26(32)25-20-15-19(34-17(2)31)13-14-23(20)30(18-9-5-4-6-10-18)24(25)16-35-27-28-21-11-7-8-12-22(21)29-27/h4-15H,3,16H2,1-2H3,(H,28,29)