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

Systemtic Name: 2-[3-(4-ethanoyl-3-oxidanyl-phenyl)prop-2-ynyl]-2,4-dimethyl-5-oxidanyl-thiophen-3-one Openeye Name: 2-[3-(4-acetyl-3-hydroxy-phenyl)prop-2-ynyl]-5-hydroxy-2,4-dimethyl-thiophen-3-one CAS Name: 2-[3-(4-acetyl-3-hydroxyphenyl)prop-2-ynyl]-5-hydroxy-2,4-dimethyl-3-thiophenone IUPAC Name: 2-[3-(4-acetyl-3-hydroxyphenyl)prop-2-ynyl]-5-hydroxy-2,4-dimethylthiophen-3-one Traditional Name: 2-[3-(4-acetyl-3-hydroxy-phenyl)prop-2-ynyl]-5-hydroxy-2,4-dimethyl-thiophen-3-one Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O4S/c1-10-15(20)17(3,22-16(10)21)8-4-5-12-6-7-13(11(2)18)14(19)9-12/h6-7,9,19,21H,8H2,1-3H3