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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > aromatic ether > (2r)-2-[(4r,5r)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > (2r)-2-[(4r,5r)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3h-6,1$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 > (2r)-2-[(4r,5r)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > (2r)-2-[(4r,5r)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol

Preferred term

(2r)-2-[(4r,5r)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-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

  • C22H27N3O4S

inchi

  • InChI=1S/C22H27N3O4S/c1-16-14-25(17(2)15-26)30(27,28)22-7-6-19(5-4-18-8-10-24-11-9-18)12-20(22)29-21(16)13-23-3/h6-12,16-17,21,23,26H,13-15H2,1-3H3/t16-,17-,21+/m1/s1

inchikey

  • IGKRWIJRXULJPM-LZJOCLMNSA-N

mass

  • 429.534

monoisotopicmass

  • 429.17223

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=NC=C3)O[C@H]1CNC)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:109985

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