ethyl 2-[3-cyano-5-(methylamino)-6-methylsulfanyl-4-phenyl-pyridin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-cyano-5-(methylamino)-6-methylsulfanyl-4-phenyl-pyridin-2-yl]ethanoate Openeye Name: ethyl 2-[3-cyano-5-(methylamino)-6-methylsulfanyl-4-phenyl-2-pyridyl]acetate CAS Name: 2-[3-cyano-5-(methylamino)-6-(methylthio)-4-phenyl-2-pyridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-5-(methylamino)-6-methylsulfanyl-4-phenylpyridin-2-yl]acetate Traditional Name: 2-[3-cyano-5-(methylamino)-6-(methylthio)-4-phenyl-2-pyridyl]acetic acid ethyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=C(C(=C1C#N)C2=CC=CC=C2)NC)SC

Isomeric SMILES

CCOC(=O)CC1=NC(=C(C(=C1C#N)C2=CC=CC=C2)NC)SC

InChI

InChI=1S/C18H19N3O2S/c1-4-23-15(22)10-14-13(11-19)16(12-8-6-5-7-9-12)17(20-2)18(21-14)24-3/h5-9,20H,4,10H2,1-3H3