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

Systemtic Name: 3-[cyclopropyl-[5-(methoxymethyl)thiophen-2-yl]methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one Openeye Name: 6-(1-benzylpropyl)-3-[cyclopropyl-[5-(methoxymethyl)-2-thienyl]methyl]-2-hydroxy-pyran-4-one CAS Name: 3-[cyclopropyl-[5-(methoxymethyl)-2-thiophenyl]methyl]-2-hydroxy-6-(1-phenylbutan-2-yl)-4-pyranone IUPAC Name: 3-[cyclopropyl-[5-(methoxymethyl)thiophen-2-yl]methyl]-2-hydroxy-6-(1-phenylbutan-2-yl)pyran-4-one Traditional Name: 6-(1-benzylpropyl)-3-[cyclopropyl-[5-(methoxymethyl)-2-thienyl]methyl]-2-hydroxy-pyran-4-one Formula: C25H28O4S MolecularWeight: 424.55242

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C25H28O4S/c1-3-17(13-16-7-5-4-6-8-16)21-14-20(26)24(25(27)29-21)23(18-9-10-18)22-12-11-19(30-22)15-28-2/h4-8,11-12,14,17-18,23,27H,3,9-10,13,15H2,1-2H3