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

Systemtic Name: 2-[1-(4-bromophenyl)butan-2-yl]-5-cyclopropyl-6-oxidanyl-3-(1-thiophen-2-ylethyl)pyran-4-one Openeye Name: 2-[1-[(4-bromophenyl)methyl]propyl]-5-cyclopropyl-6-hydroxy-3-[1-(2-thienyl)ethyl]pyran-4-one CAS Name: 2-[1-(4-bromophenyl)butan-2-yl]-5-cyclopropyl-6-hydroxy-3-(1-thiophen-2-ylethyl)-4-pyranone IUPAC Name: 2-[1-(4-bromophenyl)butan-2-yl]-5-cyclopropyl-6-hydroxy-3-(1-thiophen-2-ylethyl)pyran-4-one Traditional Name: 2-[1-(4-bromobenzyl)propyl]-5-cyclopropyl-6-hydroxy-3-[1-(2-thienyl)ethyl]pyran-4-one Formula: C24H25BrO3S MolecularWeight: 473.4225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrO3S/c1-3-16(13-15-6-10-18(25)11-7-15)23-20(14(2)19-5-4-12-29-19)22(26)21(17-8-9-17)24(27)28-23/h4-7,10-12,14,16-17,27H,3,8-9,13H2,1-2H3