ethyl 2-cyano-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexylidene]ethanoate

Systemtic Name: ethyl 2-cyano-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexylidene]ethanoate Openeye Name: ethyl 2-cyano-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexylidene]acetate CAS Name: 2-cyano-2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]cyclohexylidene]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexylidene]acetate Traditional Name: 2-cyano-2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]cyclohexylidene]acetic acid ethyl ester Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCCCC1SC2=NC(=CC(=N2)C)C)C#N

Isomeric SMILES

CCOC(=O)C(=C1CCCCC1SC2=NC(=CC(=N2)C)C)C#N

InChI

InChI=1S/C17H21N3O2S/c1-4-22-16(21)14(10-18)13-7-5-6-8-15(13)23-17-19-11(2)9-12(3)20-17/h9,15H,4-8H2,1-3H3