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

Systemtic Name: 6-[1-(4-bromophenyl)butan-2-yl]-3-[cyclopropyl(thiophen-2-yl)methyl]-2-oxidanyl-pyran-4-one Openeye Name: 6-[1-[(4-bromophenyl)methyl]propyl]-3-[cyclopropyl(2-thienyl)methyl]-2-hydroxy-pyran-4-one CAS Name: 6-[1-(4-bromophenyl)butan-2-yl]-3-[cyclopropyl(thiophen-2-yl)methyl]-2-hydroxy-4-pyranone IUPAC Name: 6-[1-(4-bromophenyl)butan-2-yl]-3-[cyclopropyl(thiophen-2-yl)methyl]-2-hydroxypyran-4-one Traditional Name: 6-[1-(4-bromobenzyl)propyl]-3-[cyclopropyl(2-thienyl)methyl]-2-hydroxy-pyran-4-one Formula: C23H23BrO3S MolecularWeight: 459.39592

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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(C3CC3)C4=CC=CS4

Isomeric SMILES

CCC(CC1=CC=C(C=C1)Br)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CS4

InChI

InChI=1S/C23H23BrO3S/c1-2-15(12-14-5-9-17(24)10-6-14)19-13-18(25)22(23(26)27-19)21(16-7-8-16)20-4-3-11-28-20/h3-6,9-11,13,15-16,21,26H,2,7-8,12H2,1H3