3-ethyl-2-oxidanyl-6-(1-phenylbutan-2-yl)-5-(1-thiophen-2-ylethyl)pyran-4-one

Systemtic Name: 3-ethyl-2-oxidanyl-6-(1-phenylbutan-2-yl)-5-(1-thiophen-2-ylethyl)pyran-4-one Openeye Name: 2-(1-benzylpropyl)-5-ethyl-6-hydroxy-3-[1-(2-thienyl)ethyl]pyran-4-one CAS Name: 3-ethyl-2-hydroxy-6-(1-phenylbutan-2-yl)-5-(1-thiophen-2-ylethyl)-4-pyranone IUPAC Name: 3-ethyl-2-hydroxy-6-(1-phenylbutan-2-yl)-5-(1-thiophen-2-ylethyl)pyran-4-one Traditional Name: 2-(1-benzylpropyl)-5-ethyl-6-hydroxy-3-[1-(2-thienyl)ethyl]pyran-4-one Formula: C23H26O3S MolecularWeight: 382.51574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C(C1=O)C(C)C2=CC=CS2)C(CC)CC3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(OC(=C(C1=O)C(C)C2=CC=CS2)C(CC)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H26O3S/c1-4-17(14-16-10-7-6-8-11-16)22-20(15(3)19-12-9-13-27-19)21(24)18(5-2)23(25)26-22/h6-13,15,17,25H,4-5,14H2,1-3H3