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Chemistry, part 2

Content language

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Concept information

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

Preferred term

(2s)-2-[(4s,5s)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-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

  • C27H37N3O4S

inchi

  • InChI=1S/C27H37N3O4S/c1-20-16-30(21(2)19-31)35(32,33)27-12-11-24(23-9-5-4-6-10-23)14-25(27)34-26(20)18-29(3)17-22-8-7-13-28-15-22/h7-9,11-15,20-21,26,31H,4-6,10,16-19H2,1-3H3/t20-,21-,26+/m0/s1

inchikey

  • IERISQUFPFVSDP-ISJBWFOZSA-N

mass

  • 499.667

monoisotopicmass

  • 499.25048

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@@H]1CN(C)CC4=CN=CC=C4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126015

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