Chem
J-GLOBAL ID：201407019730533007   Nikkaji number：J3.250.251B

9-(Methylsulfonyl)-2,3-[1,3]butadieno-6,7-(iminopropano)-4,5-dihydrooxepin-8,10-diene

9-(メチルスルホニル)-2,3-[1,3]ブタジエノ-6,7-(イミノプロパノ)-4,5-ジヒドロオキセピン-8,10-ジエン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C14H13NO3S
Molecular formula furigana： C14-H13-N-O3-S
Molecular weight： 275.320
InChI： InChI=1S/C14H13NO3S/c1-19(16,17)11-8-14-12(15-9-11)7-6-10-4-2-3-5-13(10)18-14/h2-5,8-9H,6-7H2,1H3
InChI key： PONXSAZHSSSBAS-UHFFFAOYSA-N
SMILES： CS(=O)(=O)c1cnc2CCc3ccccc3Oc2c1
Systematic name  (3)：
  • 9-(メチルスルホニル)-2,3-[1,3]ブタジエノ-6,7-(イミノプロパノ)-4,5-ジヒドロオキセピン-8,10-ジエン
  • 5-メタンスルホニル-2-オキサ-7-アザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン
  • 5-methanesulfonyl-2-oxa-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
Other name (1)：
  • 9-(Methylsulfonyl)-2,3-[1,3]butadieno-6,7-(iminopropano)-4,5-dihydrooxepin-8,10-diene
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