(E)-3-[2-(3-methylbutylsulfanyl)phenyl]-1-(3-oxidanylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[2-(3-methylbutylsulfanyl)phenyl]-1-(3-oxidanylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(3-hydroxy-1-piperidyl)-3-(2-isopentylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-1-(3-hydroxy-1-piperidinyl)-3-[2-(3-methylbutylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(3-hydroxypiperidin-1-yl)-3-[2-(3-methylbutylsulfanyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(3-hydroxypiperidino)-3-[2-(isoamylthio)phenyl]prop-2-en-1-one Formula: C19H27NO2S MolecularWeight: 333.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=CC=C1C=CC(=O)N2CCCC(C2)O

Isomeric SMILES

CC(C)CCSC1=CC=CC=C1/C=C/C(=O)N2CCCC(C2)O

InChI

InChI=1S/C19H27NO2S/c1-15(2)11-13-23-18-8-4-3-6-16(18)9-10-19(22)20-12-5-7-17(21)14-20/h3-4,6,8-10,15,17,21H,5,7,11-14H2,1-2H3/b10-9+