5-(phenylsulfanylmethyl)-9-prop-1-ynyl-2-oxa-4-azabicyclo[3.3.1]nonan-3-one

Systemtic Name: 5-(phenylsulfanylmethyl)-9-prop-1-ynyl-2-oxa-4-azabicyclo[3.3.1]nonan-3-one Openeye Name: 5-(phenylsulfanylmethyl)-9-prop-1-ynyl-2-oxa-4-azabicyclo[3.3.1]nonan-3-one CAS Name: 5-[(phenylthio)methyl]-9-prop-1-ynyl-2-oxa-4-azabicyclo[3.3.1]nonan-3-one IUPAC Name: 5-(phenylsulfanylmethyl)-9-prop-1-ynyl-2-oxa-4-azabicyclo[3.3.1]nonan-3-one Traditional Name: 5-[(phenylthio)methyl]-9-prop-1-ynyl-2-oxa-4-azabicyclo[3.3.1]nonan-3-one Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1C2CCCC1(NC(=O)O2)CSC3=CC=CC=C3

Isomeric SMILES

CC#CC1C2CCCC1(NC(=O)O2)CSC3=CC=CC=C3

InChI

InChI=1S/C17H19NO2S/c1-2-7-14-15-10-6-11-17(14,18-16(19)20-15)12-21-13-8-4-3-5-9-13/h3-5,8-9,14-15H,6,10-12H2,1H3,(H,18,19)