ethyl (2S)-2-cyano-3-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylimino]propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylimino]propanoate Openeye Name: ethyl (2S)-2-cyano-3-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylimino]propanoate CAS Name: (2S)-2-cyano-3-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylimino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylimino]propanoate Traditional Name: (2S)-2-cyano-3-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylimino]propionic acid ethyl ester Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCCCC1=NN=C(N1C2CCCC2)SC)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NCCCC1=NN=C(N1C2CCCC2)SC)C#N

InChI

InChI=1S/C17H25N5O2S/c1-3-24-16(23)13(11-18)12-19-10-6-9-15-20-21-17(25-2)22(15)14-7-4-5-8-14/h12-14H,3-10H2,1-2H3/t13-/m1/s1