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

Systemtic Name: 5-cyclopropyl-2-[1-(4-methylphenyl)butan-2-yl]-6-oxidanyl-3-(1-thiophen-2-ylethyl)pyran-4-one Openeye Name: 3-cyclopropyl-2-hydroxy-6-[1-(p-tolylmethyl)propyl]-5-[1-(2-thienyl)ethyl]pyran-4-one CAS Name: 3-cyclopropyl-2-hydroxy-6-[1-(4-methylphenyl)butan-2-yl]-5-(1-thiophen-2-ylethyl)-4-pyranone IUPAC Name: 3-cyclopropyl-2-hydroxy-6-[1-(4-methylphenyl)butan-2-yl]-5-(1-thiophen-2-ylethyl)pyran-4-one Traditional Name: 3-cyclopropyl-2-hydroxy-6-[1-(4-methylbenzyl)propyl]-5-[1-(2-thienyl)ethyl]pyran-4-one Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O3S/c1-4-18(14-17-9-7-15(2)8-10-17)24-21(16(3)20-6-5-13-29-20)23(26)22(19-11-12-19)25(27)28-24/h5-10,13,16,18-19,27H,4,11-12,14H2,1-3H3