2-[1-(4-bromophenyl)butan-2-yl]-5-ethyl-6-oxidanyl-3-(1-thiophen-2-ylethyl)pyran-4-one

Systemtic Name: 2-[1-(4-bromophenyl)butan-2-yl]-5-ethyl-6-oxidanyl-3-(1-thiophen-2-ylethyl)pyran-4-one Openeye Name: 2-[1-[(4-bromophenyl)methyl]propyl]-5-ethyl-6-hydroxy-3-[1-(2-thienyl)ethyl]pyran-4-one CAS Name: 2-[1-(4-bromophenyl)butan-2-yl]-5-ethyl-6-hydroxy-3-(1-thiophen-2-ylethyl)-4-pyranone IUPAC Name: 2-[1-(4-bromophenyl)butan-2-yl]-5-ethyl-6-hydroxy-3-(1-thiophen-2-ylethyl)pyran-4-one Traditional Name: 2-[1-(4-bromobenzyl)propyl]-5-ethyl-6-hydroxy-3-[1-(2-thienyl)ethyl]pyran-4-one Formula: C23H25BrO3S MolecularWeight: 461.4118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C(C1=O)C(C)C2=CC=CS2)C(CC)CC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCC1=C(OC(=C(C1=O)C(C)C2=CC=CS2)C(CC)CC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C23H25BrO3S/c1-4-16(13-15-8-10-17(24)11-9-15)22-20(14(3)19-7-6-12-28-19)21(25)18(5-2)23(26)27-22/h6-12,14,16,26H,4-5,13H2,1-3H3