ethyl 5-cyano-2-methyl-6-[(E)-3-phenylprop-2-enyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(E)-3-phenylprop-2-enyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(E)-cinnamyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[(E)-3-phenylprop-2-enyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carboxylate Traditional Name: 6-[[(E)-cinnamyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC=CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C19H18N2O2S/c1-3-23-19(22)17-12-16(13-20)18(21-14(17)2)24-11-7-10-15-8-5-4-6-9-15/h4-10,12H,3,11H2,1-2H3/b10-7+