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

Systemtic Name: 6-[1-(4-bromophenyl)-3-cyclopropyl-propan-2-yl]-3-[cyclopropyl(thiophen-2-yl)methyl]-2-oxidanyl-pyran-4-one Openeye Name: 6-[1-[(4-bromophenyl)methyl]-2-cyclopropyl-ethyl]-3-[cyclopropyl(2-thienyl)methyl]-2-hydroxy-pyran-4-one CAS Name: 6-[1-(4-bromophenyl)-3-cyclopropylpropan-2-yl]-3-[cyclopropyl(thiophen-2-yl)methyl]-2-hydroxy-4-pyranone IUPAC Name: 6-[1-(4-bromophenyl)-3-cyclopropylpropan-2-yl]-3-[cyclopropyl(thiophen-2-yl)methyl]-2-hydroxypyran-4-one Traditional Name: 6-[1-(4-bromobenzyl)-2-cyclopropyl-ethyl]-3-[cyclopropyl(2-thienyl)methyl]-2-hydroxy-pyran-4-one Formula: C25H25BrO3S MolecularWeight: 485.4332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(CC2=CC=C(C=C2)Br)C3=CC(=O)C(=C(O3)O)C(C4CC4)C5=CC=CS5

Isomeric SMILES

C1CC1CC(CC2=CC=C(C=C2)Br)C3=CC(=O)C(=C(O3)O)C(C4CC4)C5=CC=CS5

InChI

InChI=1S/C25H25BrO3S/c26-19-9-5-16(6-10-19)13-18(12-15-3-4-15)21-14-20(27)24(25(28)29-21)23(17-7-8-17)22-2-1-11-30-22/h1-2,5-6,9-11,14-15,17-18,23,28H,3-4,7-8,12-13H2