ethyl 3-[[2-[(4-cyanophenyl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]carbonyl-propyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[(4-cyanophenyl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]carbonyl-propyl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-cyanophenyl)sulfanylmethyl]-1-methyl-benzimidazole-5-carbonyl]-propyl-amino]propanoate CAS Name: 3-[[[2-[[(4-cyanophenyl)thio]methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-propylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-cyanophenyl)sulfanylmethyl]-1-methylbenzimidazole-5-carbonyl]-propylamino]propanoate Traditional Name: 3-[[2-[[(4-cyanophenyl)thio]methyl]-1-methyl-benzimidazole-5-carbonyl]-propyl-amino]propionic acid ethyl ester Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)OCC)C(=O)C1=CC2=C(C=C1)N(C(=N2)CSC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCCN(CCC(=O)OCC)C(=O)C1=CC2=C(C=C1)N(C(=N2)CSC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C25H28N4O3S/c1-4-13-29(14-12-24(30)32-5-2)25(31)19-8-11-22-21(15-19)27-23(28(22)3)17-33-20-9-6-18(16-26)7-10-20/h6-11,15H,4-5,12-14,17H2,1-3H3