6-butyl-3-ethanoyl-2,3-dihydrothiochromen-4-one

Systemtic Name: 6-butyl-3-ethanoyl-2,3-dihydrothiochromen-4-one Openeye Name: 3-acetyl-6-butyl-thiochroman-4-one CAS Name: 3-acetyl-6-butyl-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: 3-acetyl-6-butyl-2,3-dihydrothiochromen-4-one Traditional Name: 3-acetyl-6-butyl-thiochroman-4-one Formula: C15H18O2S MolecularWeight: 262.36722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SCC(C2=O)C(=O)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SCC(C2=O)C(=O)C

InChI

InChI=1S/C15H18O2S/c1-3-4-5-11-6-7-14-12(8-11)15(17)13(9-18-14)10(2)16/h6-8,13H,3-5,9H2,1-2H3