Chem
J-GLOBAL ID:201107015639102411
Nikkaji number:J2.968.983K
[3-(4-Methoxybenzyloxy)propyl][2-[4-[3′-(2-hydroxyethyl)-5′-methyl-2,2′-bithiophene-5-yl]phenoxy]ethyl]carbamic acid tert-butyl ester
[3-(4-メトキシベンジルオキシ)プロピル][2-[4-[3′-(2-ヒドロキシエチル)-5′-メチル-2,2′-ビチオフェン-5-イル]フェノキシ]エチル]カルバミド酸tert-ブチル
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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:
C35 H43 NO6 S2
Molecular formula furigana:
C35-H43-N-O6-S2
Molecular weight:
637.850
InChI:
InChI=1S/C35H43NO6S2/c1-25-23-28(17-20-37)33(43-25)32-16-15-31(44-32)27-9-13-30(14-10-27)41-22-19-36(34(38)42-35(2,3)4)18-6-21-40-24-26-7-11-29(39-5)12-8-26/h7-16,23,37H,6,17-22,24H2,1-5H3
InChI key:
PPCBSYVXPCIVGO-UHFFFAOYSA-N
SMILES:
COc1ccc(COCCCN(CCOc2ccc(cc2)c2ccc(s2)c2sc(C)cc2CCO)C(=O)OC(C)(C)C)cc1
Systematic name (3):
[3-(4-メトキシベンジルオキシ)プロピル][2-[4-[3′-(2-ヒドロキシエチル)-5′-メチル-2,2′-ビチオフェン-5-イル]フェノキシ]エチル]カルバミド酸tert-ブチル
tert-ブチル N-(2-{4-[3'-(2-ヒドロキシエチル)-5'-メチル-[2,2'-ビチオフェン]-5-イル]フェノキシ}エチル)-N-{3-[(4-メトキシフェニル)メトキシ]プロピル}カルバマート
tert-butyl N-(2-{4-[3'-(2-hydroxyethyl)-5'-methyl-[2,2'-bithiophen]-5-yl]phenoxy}ethyl)-N-{3-[(4-methoxyphenyl)methoxy]propyl}carbamate
Other name (1):
[3-(4-Methoxybenzyloxy)propyl][2-[4-[3′-(2-hydroxyethyl)-5′-methyl-2,2′-bithiophene-5-yl]phenoxy]ethyl]carbamic acid tert-butyl ester
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