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Chemistry, part 2

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Concept information

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

Preferred term

n-[[(4s,5r)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-4-oxanecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C28H35N3O6S

inchi

  • InChI=1S/C28H35N3O6S/c1-20-17-31(21(2)19-32)38(34,35)27-7-6-23(5-4-22-8-12-29-13-9-22)16-25(27)37-26(20)18-30(3)28(33)24-10-14-36-15-11-24/h6-9,12-13,16,20-21,24,26,32H,10-11,14-15,17-19H2,1-3H3/t20-,21+,26-/m0/s1

inchikey

  • RQONCHIHFCKYAZ-UZINWLIJSA-N

mass

  • 541.661

monoisotopicmass

  • 541.22466

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=NC=C3)O[C@H]1CN(C)C(=O)C4CCOCC4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119479

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