2-[3-(4-ethanoylphenyl)prop-2-ynyl]-2,4-dimethyl-5-oxidanyl-thiophen-3-one

Systemtic Name: 2-[3-(4-ethanoylphenyl)prop-2-ynyl]-2,4-dimethyl-5-oxidanyl-thiophen-3-one Openeye Name: 2-[3-(4-acetylphenyl)prop-2-ynyl]-5-hydroxy-2,4-dimethyl-thiophen-3-one CAS Name: 2-[3-(4-acetylphenyl)prop-2-ynyl]-5-hydroxy-2,4-dimethyl-3-thiophenone IUPAC Name: 2-[3-(4-acetylphenyl)prop-2-ynyl]-5-hydroxy-2,4-dimethylthiophen-3-one Traditional Name: 2-[3-(4-acetylphenyl)prop-2-ynyl]-5-hydroxy-2,4-dimethyl-thiophen-3-one Formula: C17H16O3S MolecularWeight: 300.37214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(C1=O)(C)CC#CC2=CC=C(C=C2)C(=O)C)O

Isomeric SMILES

CC1=C(SC(C1=O)(C)CC#CC2=CC=C(C=C2)C(=O)C)O

InChI

InChI=1S/C17H16O3S/c1-11-15(19)17(3,21-16(11)20)10-4-5-13-6-8-14(9-7-13)12(2)18/h6-9,20H,10H2,1-3H3