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

Systemtic Name: 2-[1-(4-bromophenyl)-3-cyclopropyl-propan-2-yl]-5-cyclopropyl-6-oxidanyl-3-(1-thiophen-2-ylethyl)pyran-4-one Openeye Name: 2-[1-[(4-bromophenyl)methyl]-2-cyclopropyl-ethyl]-5-cyclopropyl-6-hydroxy-3-[1-(2-thienyl)ethyl]pyran-4-one CAS Name: 2-[1-(4-bromophenyl)-3-cyclopropylpropan-2-yl]-5-cyclopropyl-6-hydroxy-3-(1-thiophen-2-ylethyl)-4-pyranone IUPAC Name: 2-[1-(4-bromophenyl)-3-cyclopropylpropan-2-yl]-5-cyclopropyl-6-hydroxy-3-(1-thiophen-2-ylethyl)pyran-4-one Traditional Name: 2-[1-(4-bromobenzyl)-2-cyclopropyl-ethyl]-5-cyclopropyl-6-hydroxy-3-[1-(2-thienyl)ethyl]pyran-4-one Formula: C26H27BrO3S MolecularWeight: 499.45978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)C2=C(OC(=C(C2=O)C3CC3)O)C(CC4CC4)CC5=CC=C(C=C5)Br

Isomeric SMILES

CC(C1=CC=CS1)C2=C(OC(=C(C2=O)C3CC3)O)C(CC4CC4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C26H27BrO3S/c1-15(21-3-2-12-31-21)22-24(28)23(18-8-9-18)26(29)30-25(22)19(13-16-4-5-16)14-17-6-10-20(27)11-7-17/h2-3,6-7,10-12,15-16,18-19,29H,4-5,8-9,13-14H2,1H3