methyl 2-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-cyano-6-methyl-4-phenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)thio]acetic acid methyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCC(=O)OC

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCC(=O)OC

InChI

InChI=1S/C16H14N2O2S/c1-11-8-13(12-6-4-3-5-7-12)14(9-17)16(18-11)21-10-15(19)20-2/h3-8H,10H2,1-2H3