Chem
J-GLOBAL ID:200907064353549152
Nikkaji number:J1.325.746I
(S)-3-[3-(p-Tolylsulfinyl)-2-furyl]-3-(4-methoxyanilino)-2,2-dimethylpropionic acid ethyl ester
(S)-3-[3-(p-トリルスルフィニル)-2-フリル]-3-(4-メトキシアニリノ)-2,2-ジメチルプロピオン酸エチル
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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:
C25 H29 NO5 S
Molecular formula furigana:
C25-H29-N-O5-S
Molecular weight:
455.570
InChI:
InChI=1S/C25H29NO5S/c1-6-30-24(27)25(3,4)23(26-18-9-11-19(29-5)12-10-18)22-21(15-16-31-22)32(28)20-13-7-17(2)8-14-20/h7-16,23,26H,6H2,1-5H3/t23-,32?/m1/s1
InChI key:
BAAOMNPYZLLHJC-IYOGPWPASA-N
SMILES:
CCOC(=O)C(C)(C)[C@H](Nc1ccc(OC)cc1)c1occc1S(=O)c1ccc(C)cc1
Systematic name (4):
(S)-3-[3-(p-トリルスルフィニル)-2-フリル]-3-(4-メトキシアニリノ)-2,2-ジメチルプロピオン酸エチル
(3S)-2,2-ジメチル-3-(p-メトキシフェニルアミノ)-3-[3-(p-トリルスルフィニル)-2-フリル]プロピオン酸エチル
エチル (3S)-3-[(4-メトキシフェニル)アミノ]-2,2-ジメチル-3-[3-(4-メチルベンゼンスルフィニル)フラン-2-イル]プロパノアート
ethyl (3S)-3-[(4-methoxyphenyl)amino]-2,2-dimethyl-3-[3-(4-methylbenzenesulfinyl)furan-2-yl]propanoate
Other name (2):
(S)-3-[3-(p-Tolylsulfinyl)-2-furyl]-3-(4-methoxyanilino)-2,2-dimethylpropionic acid ethyl ester
(3S)-2,2-Dimethyl-3-(p-methoxyphenylamino)-3-[3-(p-tolylsulfinyl)-2-furyl]propionic acid ethyl ester
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