Chem
J-GLOBAL ID：201507082262868102
Nikkaji number：J3.389.375B
[3-(Ethoxycarbonylmethylthio)-1-(3-fluorobenzyl)-2-oxoindoline-3β-yl]carbamic acid 1-adamantyl ester
[3-(エトキシカルボニルメチルチオ)-1-(3-フルオロベンジル)-2-オキソインドリン-3β-イル]カルバミド酸1-アダマンチル
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
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
Molecular formula： C30H33FN2O5S
Molecular formula furigana： C30-H33-F-N2-O5-S
Molecular weight： 552.660
InChI：
InChI=1S/C30H33FN2O5S/c1-2-37-26(34)18-39-30(32-28(36)38-29-14-20-10-21(15-29)12-22(11-20)16-29)24-8-3-4-9-25(24)33(27(30)35)17-19-6-5-7-23(31)13-19/h3-9,13,20-22H,2,10-12,14-18H2,1H3,(H,32,36)/t20-,21?,22?,29-,30-/m1/s1
InChI key：
KWFMCTQOSRQXRV-ZYGQIXISSA-N
SMILES：
CCOC(=O)CS[C@@]1(NC(=O)O[C@@]23CC4C[C@@H](CC(C4)C2)C3)C(=O)N(Cc2cccc(F)c2)c2ccccc12
Systematic name (3)：
- [3-(エトキシカルボニルメチルチオ)-1-(3-フルオロベンジル)-2-オキソインドリン-3β-イル]カルバミド酸1-アダマンチル
- エチル 2-{[(3R)-1-[(3-フルオロフェニル)メチル]-2-オキソ-3-({[(3r)-アダマンタン-1-イルオキシ]カルボニル}アミノ)-2,3-ジヒドロ-1H-インドール-3-イル]スルファニル}アセタート
- ethyl 2-{[(3R)-1-[(3-fluorophenyl)methyl]-2-oxo-3-({[(3r)-adamantan-1-yloxy]carbonyl}amino)-2,3-dihydro-1H-indol-3-yl]sulfanyl}acetate
- [3-(Ethoxycarbonylmethylthio)-1-(3-fluorobenzyl)-2-oxoindoline-3β-yl]carbamic acid 1-adamantyl ester
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