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

Systemtic Name: 2-[1-(4-chlorophenyl)-3-cyclopropyl-propan-2-yl]-5-ethyl-6-oxidanyl-3-(1-thiophen-2-ylethyl)pyran-4-one Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-2-cyclopropyl-ethyl]-5-ethyl-6-hydroxy-3-[1-(2-thienyl)ethyl]pyran-4-one CAS Name: 2-[1-(4-chlorophenyl)-3-cyclopropylpropan-2-yl]-5-ethyl-6-hydroxy-3-(1-thiophen-2-ylethyl)-4-pyranone IUPAC Name: 2-[1-(4-chlorophenyl)-3-cyclopropylpropan-2-yl]-5-ethyl-6-hydroxy-3-(1-thiophen-2-ylethyl)pyran-4-one Traditional Name: 2-[1-(4-chlorobenzyl)-2-cyclopropyl-ethyl]-5-ethyl-6-hydroxy-3-[1-(2-thienyl)ethyl]pyran-4-one Formula: C25H27ClO3S MolecularWeight: 442.99808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C(C1=O)C(C)C2=CC=CS2)C(CC3CC3)CC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCC1=C(OC(=C(C1=O)C(C)C2=CC=CS2)C(CC3CC3)CC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C25H27ClO3S/c1-3-20-23(27)22(15(2)21-5-4-12-30-21)24(29-25(20)28)18(13-16-6-7-16)14-17-8-10-19(26)11-9-17/h4-5,8-12,15-16,18,28H,3,6-7,13-14H2,1-2H3