Chem
J-GLOBAL ID:200907064268314510   Nikkaji number:J1.428.272F

(2Z,4S,5S)-4-[(2,3,6-Trimethyl-4-methoxyphenylsulfonyl)amino]-5-methyl-2-heptenoic acid ethyl ester

(2Z,4S,5S)-4-[(2,3,6-トリメチル-4-メトキシフェニルスルホニル)アミノ]-5-メチル-2-ヘプテン酸エチル
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: C20H31NO5S
Molecular formula furigana: C20-H31-N-O5-S
Molecular weight: 397.530
InChI: InChI=1S/C20H31NO5S/c1-8-13(3)17(10-11-19(22)26-9-2)21-27(23,24)20-14(4)12-18(25-7)15(5)16(20)6/h10-13,17,21H,8-9H2,1-7H3/b11-10-/t13-,17+/m0/s1
InChI key: YSWRZGBMXCGEQU-IZJCLEIMSA-N
SMILES: CCOC(=O)/C=C\[C@@H](NS(=O)(=O)c1c(C)cc(OC)c(C)c1C)[C@@H](C)CC
Systematic name  (3):
  • (2Z,4S,5S)-4-[(2,3,6-トリメチル-4-メトキシフェニルスルホニル)アミノ]-5-メチル-2-ヘプテン酸エチル
  • エチル (2Z,4S,5S)-4-(4-メトキシ-2,3,6-トリメチルベンゼンスルホンアミド)-5-メチルヘプタ-2-エノアート
  • ethyl (2Z,4S,5S)-4-(4-methoxy-2,3,6-trimethylbenzenesulfonamido)-5-methylhept-2-enoate
Other name (1):
  • (2Z,4S,5S)-4-[(2,3,6-Trimethyl-4-methoxyphenylsulfonyl)amino]-5-methyl-2-heptenoic acid ethyl ester
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