4-(furan-2-ylmethylsulfanyl)butan-2-one; (E)-pent-3-en-2-one

Systemtic Name: 4-(furan-2-ylmethylsulfanyl)butan-2-one; (E)-pent-3-en-2-one Openeye Name: 4-(2-furylmethylsulfanyl)butan-2-one; (E)-pent-3-en-2-one CAS Name: 4-(2-furanylmethylthio)-2-butanone; (E)-3-penten-2-one IUPAC Name: 4-(furan-2-ylmethylsulfanyl)butan-2-one; (E)-pent-3-en-2-one Traditional Name: 4-(2-furfurylthio)butan-2-one; (E)-pent-3-en-2-one Formula: C14H20O3S MolecularWeight: 268.3718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C.CC(=O)CCSCC1=CC=CO1

Isomeric SMILES

C/C=C/C(=O)C.CC(=O)CCSCC1=CC=CO1

InChI

InChI=1S/C9H12O2S.C5H8O/c1-8(10)4-6-12-7-9-3-2-5-11-9;1-3-4-5(2)6/h2-3,5H,4,6-7H2,1H3;3-4H,1-2H3/b;4-3+