ethyl 1-(phenylmethyl)-2-(quinolin-8-ylmethylsulfanyl)benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-2-(quinolin-8-ylmethylsulfanyl)benzimidazole-5-carboxylate Openeye Name: ethyl 1-benzyl-2-(8-quinolylmethylsulfanyl)benzimidazole-5-carboxylate CAS Name: 1-(phenylmethyl)-2-(8-quinolinylmethylthio)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-(quinolin-8-ylmethylsulfanyl)benzimidazole-5-carboxylate Traditional Name: 1-benzyl-2-(8-quinolylmethylthio)benzimidazole-5-carboxylic acid ethyl ester Formula: C27H23N3O2S MolecularWeight: 453.55542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC4=C3N=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC4=C3N=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H23N3O2S/c1-2-32-26(31)21-13-14-24-23(16-21)29-27(30(24)17-19-8-4-3-5-9-19)33-18-22-11-6-10-20-12-7-15-28-25(20)22/h3-16H,2,17-18H2,1H3