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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > sch-56396
organooxygen compound > sch-56396

Preferred term

sch-56396  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C17H20N2O3S

has_functional_parent

inchi

  • InChI=1S/C17H20N2O3S/c1-11(2)8-9-22-13-6-4-12(5-7-13)10-14-15(20)19-17(23-3)16(21)18-14/h4-8,10,17H,9H2,1-3H3,(H,18,21)(H,19,20)/b14-10-/t17-/m0/s1

inchikey

  • DFTITSOGUUDLJM-QXSWTLKVSA-N

mass

  • 332.420

monoisotopicmass

  • 332.11946

smiles

  • S([C@@H]1NC(=O)/C(=C/C2=CC=C(OCC=C(C)C)C=C2)/NC1=O)C

subset

  • 2_STAR

synonym EXACT

  • (3Z)-3-[[4-(3-methylbut-2-enoxy)phenyl]methylidene]-6-methylsulanylpiperazine-2,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224311

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