ethyl 3-[5-cyano-2,4-dimethyl-6-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]pyridin-3-yl]propanoate

Systemtic Name: ethyl 3-[5-cyano-2,4-dimethyl-6-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]pyridin-3-yl]propanoate Openeye Name: ethyl 3-[5-cyano-2,4-dimethyl-6-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-3-pyridyl]propanoate CAS Name: 3-[5-cyano-2,4-dimethyl-6-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-cyano-2,4-dimethyl-6-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]pyridin-3-yl]propanoate Traditional Name: 3-[5-cyano-6-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-2,4-dimethyl-3-pyridyl]propionic acid ethyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCCCN2C3=CC=CC=C3NC2=O)C

Isomeric SMILES

CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCCCN2C3=CC=CC=C3NC2=O)C

InChI

InChI=1S/C23H26N4O3S/c1-4-30-21(28)11-10-17-15(2)18(14-24)22(25-16(17)3)31-13-7-12-27-20-9-6-5-8-19(20)26-23(27)29/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,26,29)