[1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)furan-2-yl]carbonylpiperidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)furan-2-yl]carbonylpiperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [1-[5-(3-hydroxy-3-methyl-but-1-ynyl)furan-2-carbonyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-furanyl]-oxomethyl]-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [1-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-furoyl]-3-piperidyl]-[4-(methylthio)phenyl]methanone Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(O1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(O1)C(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C23H25NO4S/c1-23(2,27)13-12-18-8-11-20(28-18)22(26)24-14-4-5-17(15-24)21(25)16-6-9-19(29-3)10-7-16/h6-11,17,27H,4-5,14-15H2,1-3H3