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

Systemtic Name: 2-methyl-5-[2-(4-oxidanylbutylsulfanyl)-2-thiophen-3-yl-ethyl]-2-phenyl-furan-3-one Openeye Name: 5-[2-(4-hydroxybutylsulfanyl)-2-(3-thienyl)ethyl]-2-methyl-2-phenyl-furan-3-one CAS Name: 5-[2-(4-hydroxybutylthio)-2-(3-thiophenyl)ethyl]-2-methyl-2-phenyl-3-furanone IUPAC Name: 5-[2-(4-hydroxybutylsulfanyl)-2-thiophen-3-ylethyl]-2-methyl-2-phenylfuran-3-one Traditional Name: 5-[2-(4-hydroxybutylthio)-2-(3-thienyl)ethyl]-2-methyl-2-phenyl-furan-3-one Formula: C21H24O3S2 MolecularWeight: 388.54346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O3S2/c1-21(17-7-3-2-4-8-17)20(23)14-18(24-21)13-19(16-9-12-25-15-16)26-11-6-5-10-22/h2-4,7-9,12,14-15,19,22H,5-6,10-11,13H2,1H3