Chem
J-GLOBAL ID:200907000097231192   Nikkaji number:J286.712E

N-[4-[2-Cyano-3-[4-[(methylsulfonyl)amino]phenyl]-3-oxo-1-propenyl]-3-methylphenyl]-N-[2-(1-methylethoxy)-2-oxoethyl]glycine 1-methylethyl ester

N-[4-[2-シアノ-3-[4-[(メチルスルホニル)アミノ]フェニル]-3-オキソ-1-プロペニル]-3-メチルフェニル]-N-[2-(1-メチルエトキシ)-2-オキソエチル]グリシン1-メチルエチル
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: C28H33N3O7S
Molecular formula furigana: C28-H33-N3-O7-S
Molecular weight: 555.650
InChI: InChI=1S/C28H33N3O7S/c1-18(2)37-26(32)16-31(17-27(33)38-19(3)4)25-12-9-22(20(5)13-25)14-23(15-29)28(34)21-7-10-24(11-8-21)30-39(6,35)36/h7-14,18-19,30H,16-17H2,1-6H3
InChI key: RPYPDSDGLZSREJ-UHFFFAOYSA-N
SMILES: CC(C)OC(=O)CN(CC(=O)OC(C)C)c1ccc(C=C(C#N)C(=O)c2ccc(NS(=O)(=O)C)cc2)c(C)c1
Systematic name  (3):
  • N-[4-[2-シアノ-3-[4-[(メチルスルホニル)アミノ]フェニル]-3-オキソ-1-プロペニル]-3-メチルフェニル]-N-[2-(1-メチルエトキシ)-2-オキソエチル]グリシン1-メチルエチル
  • プロパン-2-イル 2-({4-[2-シアノ-2-(4-メタンスルホンアミドベンゾイル)エタ-1-エン-1-イル]-3-メチルフェニル}[2-オキソ-2-(プロパン-2-イルオキシ)エチル]アミノ)アセタート
  • propan-2-yl 2-({4-[2-cyano-2-(4-methanesulfonamidobenzoyl)eth-1-en-1-yl]-3-methylphenyl}[2-oxo-2-(propan-2-yloxy)ethyl]amino)acetate
Other name (1):
  • N-[4-[2-Cyano-3-[4-[(methylsulfonyl)amino]phenyl]-3-oxo-1-propenyl]-3-methylphenyl]-N-[2-(1-methylethoxy)-2-oxoethyl]glycine 1-methylethyl ester
CAS registry number: 66172-63-2
Regulation number (1):
  • EINECS2662138
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