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

Systemtic Name: 3-cyclopropyl-2-oxidanyl-6-(1-phenylbutan-2-yl)-5-(1-thiophen-2-ylethyl)pyran-4-one Openeye Name: 2-(1-benzylpropyl)-5-cyclopropyl-6-hydroxy-3-[1-(2-thienyl)ethyl]pyran-4-one CAS Name: 3-cyclopropyl-2-hydroxy-6-(1-phenylbutan-2-yl)-5-(1-thiophen-2-ylethyl)-4-pyranone IUPAC Name: 3-cyclopropyl-2-hydroxy-6-(1-phenylbutan-2-yl)-5-(1-thiophen-2-ylethyl)pyran-4-one Traditional Name: 2-(1-benzylpropyl)-5-cyclopropyl-6-hydroxy-3-[1-(2-thienyl)ethyl]pyran-4-one Formula: C24H26O3S MolecularWeight: 394.52644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O3S/c1-3-17(14-16-8-5-4-6-9-16)23-20(15(2)19-10-7-13-28-19)22(25)21(18-11-12-18)24(26)27-23/h4-10,13,15,17-18,26H,3,11-12,14H2,1-2H3