ethyl 3-[3H-benzimidazol-5-yloxycarbonyl(propyl)amino]-4-(4-cyanophenyl)sulfanyl-butanoate

Systemtic Name: ethyl 3-[3H-benzimidazol-5-yloxycarbonyl(propyl)amino]-4-(4-cyanophenyl)sulfanyl-butanoate Openeye Name: ethyl 3-[3H-benzimidazol-5-yloxycarbonyl(propyl)amino]-4-(4-cyanophenyl)sulfanyl-butanoate CAS Name: 3-[[3H-benzimidazol-5-yloxy(oxo)methyl]-propylamino]-4-[(4-cyanophenyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-[3H-benzimidazol-5-yloxycarbonyl(propyl)amino]-4-(4-cyanophenyl)sulfanylbutanoate Traditional Name: 3-[3H-benzimidazol-5-yloxycarbonyl(propyl)amino]-4-[(4-cyanophenyl)thio]butyric acid ethyl ester Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(CC(=O)OCC)CSC1=CC=C(C=C1)C#N)C(=O)OC2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CCCN(C(CC(=O)OCC)CSC1=CC=C(C=C1)C#N)C(=O)OC2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C24H26N4O4S/c1-3-11-28(24(30)32-19-7-10-21-22(13-19)27-16-26-21)18(12-23(29)31-4-2)15-33-20-8-5-17(14-25)6-9-20/h5-10,13,16,18H,3-4,11-12,15H2,1-2H3,(H,26,27)