ethyl 2-[[2-[(4-cyanophenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]-(phenylcarbonyl)amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(4-cyanophenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]-(phenylcarbonyl)amino]ethanoate Openeye Name: ethyl 2-[benzoyl-[2-[(4-cyanophenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]amino]acetate CAS Name: 2-[benzoyl-[2-[(4-cyanophenyl)methylthio]-1-methyl-5-benzimidazolyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzoyl-[2-[(4-cyanophenyl)methylsulfanyl]-1-methylbenzimidazol-5-yl]amino]acetate Traditional Name: 2-[benzoyl-[2-[(4-cyanobenzyl)thio]-1-methyl-benzimidazol-5-yl]amino]acetic acid ethyl ester Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C=C3)C#N)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C=C3)C#N)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H24N4O3S/c1-3-34-25(32)17-31(26(33)21-7-5-4-6-8-21)22-13-14-24-23(15-22)29-27(30(24)2)35-18-20-11-9-19(16-28)10-12-20/h4-15H,3,17-18H2,1-2H3