ethyl (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-pyrimidin-2-ylsulfanyl-penta-2,4-dienoate

Systemtic Name: ethyl (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-pyrimidin-2-ylsulfanyl-penta-2,4-dienoate Openeye Name: ethyl (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-pyrimidin-2-ylsulfanyl-penta-2,4-dienoate CAS Name: (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-(2-pyrimidinylthio)penta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-pyrimidin-2-ylsulfanylpenta-2,4-dienoate Traditional Name: (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-(2-pyrimidylthio)penta-2,4-dienoic acid ethyl ester Formula: C18H14ClN3O2S MolecularWeight: 371.84066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C1=CC=C(C=C1)Cl)SC2=NC=CC=N2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C=C(/C1=CC=C(C=C1)Cl)\SC2=NC=CC=N2)/C#N

InChI

InChI=1S/C18H14ClN3O2S/c1-2-24-17(23)14(12-20)6-9-16(13-4-7-15(19)8-5-13)25-18-21-10-3-11-22-18/h3-11H,2H2,1H3/b14-6+,16-9-