methyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: methyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: methyl 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-2-phenyl-acetate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-2-phenylacetate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-2-phenyl-acetic acid methyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2S/c1-11-9-12(2)19-16(14(11)10-18)22-15(17(20)21-3)13-7-5-4-6-8-13/h4-9,15H,1-3H3