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Chemistry, part 2

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Concept information

organooxygen compound > ether > aromatic ether > (2s)-2-[(4s,5s)-5-[(dimethylamino)methyl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > (2s)-2-[(4s,5s)-5-[(dimethylamino)methyl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > (2s)-2-[(4s,5s)-5-[(dimethylamino)methyl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > (2s)-2-[(4s,5s)-5-[(dimethylamino)methyl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol

Preferred term

(2s)-2-[(4s,5s)-5-[(dimethylamino)methyl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32N2O4S

inchi

  • InChI=1S/C21H32N2O4S/c1-15(2)7-8-18-9-10-21-19(11-18)27-20(13-22(5)6)16(3)12-23(17(4)14-24)28(21,25)26/h9-11,15-17,20,24H,12-14H2,1-6H3/t16-,17-,20+/m0/s1

inchikey

  • WPCNIHGKOXVEOP-ABSDTBQOSA-N

mass

  • 408.557

monoisotopicmass

  • 408.20828

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC(C)C)O[C@@H]1CN(C)C)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:110141

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