ethyl 3-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(5-cyano-6-methylsulfanyl-2-pyridyl)methyl]amino]propanoate CAS Name: 3-[[5-cyano-6-(methylthio)-2-pyridinyl]methyl-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(5-cyano-6-methylsulfanylpyridin-2-yl)methyl]amino]propanoate Traditional Name: 3-[benzyl-[[5-cyano-6-(methylthio)-2-pyridyl]methyl]amino]propionic acid ethyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)CC2=NC(=C(C=C2)C#N)SC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)CC2=NC(=C(C=C2)C#N)SC

InChI

InChI=1S/C20H23N3O2S/c1-3-25-19(24)11-12-23(14-16-7-5-4-6-8-16)15-18-10-9-17(13-21)20(22-18)26-2/h4-10H,3,11-12,14-15H2,1-2H3