2-methyl-5-[2-(4-oxidanylbutylsulfanyl)-3-thiophen-3-yl-propyl]-2-phenyl-furan-3-one

Systemtic Name: 2-methyl-5-[2-(4-oxidanylbutylsulfanyl)-3-thiophen-3-yl-propyl]-2-phenyl-furan-3-one Openeye Name: 5-[2-(4-hydroxybutylsulfanyl)-3-(3-thienyl)propyl]-2-methyl-2-phenyl-furan-3-one CAS Name: 5-[2-(4-hydroxybutylthio)-3-(3-thiophenyl)propyl]-2-methyl-2-phenyl-3-furanone IUPAC Name: 5-[2-(4-hydroxybutylsulfanyl)-3-thiophen-3-ylpropyl]-2-methyl-2-phenylfuran-3-one Traditional Name: 5-[2-(4-hydroxybutylthio)-3-(3-thienyl)propyl]-2-methyl-2-phenyl-furan-3-one Formula: C22H26O3S2 MolecularWeight: 402.57004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C(O1)CC(CC2=CSC=C2)SCCCCO)C3=CC=CC=C3

Isomeric SMILES

CC1(C(=O)C=C(O1)CC(CC2=CSC=C2)SCCCCO)C3=CC=CC=C3

InChI

InChI=1S/C22H26O3S2/c1-22(18-7-3-2-4-8-18)21(24)15-19(25-22)14-20(27-11-6-5-10-23)13-17-9-12-26-16-17/h2-4,7-9,12,15-16,20,23H,5-6,10-11,13-14H2,1H3