Chem
J-GLOBAL ID：201107065457518490   Nikkaji number：J2.968.988A

N-[2-[4-[4-[2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl]-4′-bromo-5′-methyl-2,2′-bithiophene-5-yl]phenoxy]ethyl]-N-methylcarbamic acid tert-butyl ester

tert-ブチル N-[2-(4-{4'-ブロモ-5'-メチル-4-[2-(オキサン-2-イルオキシ)エチル]-[2,2'-ビチオフェン]-5-イル}フェノキシ)エチル]-N-メチルカルバマート
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： C30H38BrNO5S2
Molecular formula furigana： C30-H38-BR-N-O5-S2
Molecular weight： 636.660
InChI： InChI=1S/C30H38BrNO5S2/c1-20-24(31)19-26(38-20)25-18-22(13-16-36-27-8-6-7-15-35-27)28(39-25)21-9-11-23(12-10-21)34-17-14-32(5)29(33)37-30(2,3)4/h9-12,18-19,27H,6-8,13-17H2,1-5H3
InChI key： INIDSBDNWVCRSQ-UHFFFAOYSA-N
SMILES： CN(CCOc1ccc(cc1)c1sc(cc1CCOC1CCCCO1)c1cc(Br)c(C)s1)C(=O)OC(C)(C)C
Systematic name  (3)：
  • N-[2-[4-[4-[2-[(テトラヒドロ-2H-ピラン-2-イル)オキシ]エチル]-4′-ブロモ-5′-メチル-2,2′-ビチオフェン-5-イル]フェノキシ]エチル]-N-メチルカルバミド酸tert-ブチル
  • tert-ブチル N-[2-(4-{4'-ブロモ-5'-メチル-4-[2-(オキサン-2-イルオキシ)エチル]-[2,2'-ビチオフェン]-5-イル}フェノキシ)エチル]-N-メチルカルバマート
  • tert-butyl N-[2-(4-{4'-bromo-5'-methyl-4-[2-(oxan-2-yloxy)ethyl]-[2,2'-bithiophen]-5-yl}phenoxy)ethyl]-N-methylcarbamate
Other name (1)：
  • N-[2-[4-[4-[2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl]-4′-bromo-5′-methyl-2,2′-bithiophene-5-yl]phenoxy]ethyl]-N-methylcarbamic acid tert-butyl ester
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