ethyl 2-(3-cyano-5-ethanoyl-6-methyl-4-pyridin-3-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-cyano-5-ethanoyl-6-methyl-4-pyridin-3-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[[5-acetyl-3-cyano-6-methyl-4-(3-pyridyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(3-pyridinyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(5-acetyl-3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(3-pyridyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(=C1C#N)C2=CN=CC=C2)C(=O)C)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C(=C1C#N)C2=CN=CC=C2)C(=O)C)C

InChI

InChI=1S/C18H17N3O3S/c1-4-24-15(23)10-25-18-14(8-19)17(13-6-5-7-20-9-13)16(12(3)22)11(2)21-18/h5-7,9H,4,10H2,1-3H3