3-[cyclopropyl-[5-(hydroxymethyl)thiophen-2-yl]methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one

Systemtic Name: 3-[cyclopropyl-[5-(hydroxymethyl)thiophen-2-yl]methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one Openeye Name: 6-(1-benzylpropyl)-3-[cyclopropyl-[5-(hydroxymethyl)-2-thienyl]methyl]-2-hydroxy-pyran-4-one CAS Name: 3-[cyclopropyl-[5-(hydroxymethyl)-2-thiophenyl]methyl]-2-hydroxy-6-(1-phenylbutan-2-yl)-4-pyranone IUPAC Name: 3-[cyclopropyl-[5-(hydroxymethyl)thiophen-2-yl]methyl]-2-hydroxy-6-(1-phenylbutan-2-yl)pyran-4-one Traditional Name: 6-(1-benzylpropyl)-3-[cyclopropyl-(5-methylol-2-thienyl)methyl]-2-hydroxy-pyran-4-one Formula: C24H26O4S MolecularWeight: 410.52584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=C(S4)CO

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=C(S4)CO

InChI

InChI=1S/C24H26O4S/c1-2-16(12-15-6-4-3-5-7-15)20-13-19(26)23(24(27)28-20)22(17-8-9-17)21-11-10-18(14-25)29-21/h3-7,10-11,13,16-17,22,25,27H,2,8-9,12,14H2,1H3