(E)-1-(2,5-dimethylthiophen-3-yl)hept-2-en-1-one

Systemtic Name: (E)-1-(2,5-dimethylthiophen-3-yl)hept-2-en-1-one Openeye Name: (E)-1-(2,5-dimethyl-3-thienyl)hept-2-en-1-one CAS Name: (E)-1-(2,5-dimethyl-3-thiophenyl)-2-hepten-1-one IUPAC Name: (E)-1-(2,5-dimethylthiophen-3-yl)hept-2-en-1-one Traditional Name: (E)-1-(2,5-dimethyl-3-thienyl)hept-2-en-1-one Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=O)C1=C(SC(=C1)C)C

Isomeric SMILES

CCCC/C=C/C(=O)C1=C(SC(=C1)C)C

InChI

InChI=1S/C13H18OS/c1-4-5-6-7-8-13(14)12-9-10(2)15-11(12)3/h7-9H,4-6H2,1-3H3/b8-7+