5-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)penta-2,4-diynyl (2E,4E)-hexa-2,4-dienoate

Systemtic Name: 5-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)penta-2,4-diynyl (2E,4E)-hexa-2,4-dienoate Openeye Name: 5-(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)penta-2,4-diynyl (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid 5-[4-methyl-2-(methylthio)-5-pyrimidinyl]penta-2,4-diynyl ester IUPAC Name: 5-(4-methyl-2-methylsulfanylpyrimidin-5-yl)penta-2,4-diynyl (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid 5-[4-methyl-2-(methylthio)pyrimidin-5-yl]penta-2,4-diynyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OCC#CC#CC1=CN=C(N=C1C)SC

Isomeric SMILES

C/C=C/C=C/C(=O)OCC#CC#CC1=CN=C(N=C1C)SC

InChI

InChI=1S/C17H16N2O2S/c1-4-5-7-11-16(20)21-12-9-6-8-10-15-13-18-17(22-3)19-14(15)2/h4-5,7,11,13H,12H2,1-3H3/b5-4+,11-7+