ethyl 2-phenyl-2-prop-2-ynylsulfanyl-penta-3,4-dienoate

Systemtic Name: ethyl 2-phenyl-2-prop-2-ynylsulfanyl-penta-3,4-dienoate Openeye Name: ethyl 2-phenyl-2-prop-2-ynylsulfanyl-penta-3,4-dienoate CAS Name: 2-phenyl-2-(prop-2-ynylthio)penta-3,4-dienoic acid ethyl ester IUPAC Name: ethyl 2-phenyl-2-prop-2-ynylsulfanylpenta-3,4-dienoate Traditional Name: 2-phenyl-2-(propargylthio)penta-3,4-dienoic acid ethyl ester Formula: C16H16O2S MolecularWeight: 272.36204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=C=C)(C1=CC=CC=C1)SCC#C

Isomeric SMILES

CCOC(=O)C(C=C=C)(C1=CC=CC=C1)SCC#C

InChI

InChI=1S/C16H16O2S/c1-4-12-16(19-13-5-2,15(17)18-6-3)14-10-8-7-9-11-14/h2,7-12H,1,6,13H2,3H3