6-[1-(4-bromophenyl)butan-2-yl]-2-oxidanyl-3-(1-thiophen-2-ylpropyl)pyran-4-one

Systemtic Name: 6-[1-(4-bromophenyl)butan-2-yl]-2-oxidanyl-3-(1-thiophen-2-ylpropyl)pyran-4-one Openeye Name: 6-[1-[(4-bromophenyl)methyl]propyl]-2-hydroxy-3-[1-(2-thienyl)propyl]pyran-4-one CAS Name: 6-[1-(4-bromophenyl)butan-2-yl]-2-hydroxy-3-(1-thiophen-2-ylpropyl)-4-pyranone IUPAC Name: 6-[1-(4-bromophenyl)butan-2-yl]-2-hydroxy-3-(1-thiophen-2-ylpropyl)pyran-4-one Traditional Name: 6-[1-(4-bromobenzyl)propyl]-2-hydroxy-3-[1-(2-thienyl)propyl]pyran-4-one Formula: C22H23BrO3S MolecularWeight: 447.38522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)Br)C2=CC(=O)C(=C(O2)O)C(CC)C3=CC=CS3

Isomeric SMILES

CCC(CC1=CC=C(C=C1)Br)C2=CC(=O)C(=C(O2)O)C(CC)C3=CC=CS3

InChI

InChI=1S/C22H23BrO3S/c1-3-15(12-14-7-9-16(23)10-8-14)19-13-18(24)21(22(25)26-19)17(4-2)20-6-5-11-27-20/h5-11,13,15,17,25H,3-4,12H2,1-2H3