cyclopent-2-en-1-one; 2-methyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene

Systemtic Name: cyclopent-2-en-1-one; 2-methyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene Openeye Name: cyclopent-2-en-1-one; 2-methyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene CAS Name: 1-cyclopent-2-enone; 2-methyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene IUPAC Name: cyclopent-2-en-1-one; 2-methyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene Traditional Name: cyclopent-2-en-1-one; 2-methyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene Formula: C13H14OS MolecularWeight: 218.31466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CSC(=C1)C=C2.C1CC(=O)C=C1

Isomeric SMILES

CC1=C2CSC(=C1)C=C2.C1CC(=O)C=C1

InChI

InChI=1S/C8H8S.C5H6O/c1-6-4-8-3-2-7(6)5-9-8;6-5-3-1-2-4-5/h2-4H,5H2,1H3;1,3H,2,4H2