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

Systemtic Name: ethyl 2-(3-cyano-6-cyclopropyl-4-phenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[(3-cyano-6-cyclopropyl-4-phenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-cyclopropyl-4-phenyl-2-pyridinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-6-cyclopropyl-4-phenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-cyclopropyl-4-phenyl-2-pyridyl)thio]acetic acid ethyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=CC(=N1)C2CC2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=CC(=N1)C2CC2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H18N2O2S/c1-2-23-18(22)12-24-19-16(11-20)15(13-6-4-3-5-7-13)10-17(21-19)14-8-9-14/h3-7,10,14H,2,8-9,12H2,1H3