Chem
J-GLOBAL ID:200907001922904835   Nikkaji number:J2.157.382E

(E)-2-[Bis(tert-butoxycarbonyl)amino]-3-[[4-(benzo[b]thiophene-3-yl)phenyl]thio]propenoic acid methyl ester

(E)-2-[ビス(tert-ブトキシカルボニル)アミノ]-3-[[4-(ベンゾ[b]チオフェン-3-イル)フェニル]チオ]プロペン酸メチル
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: C28H31NO6S2
Molecular formula furigana: C28-H31-N-O6-S2
Molecular weight: 541.680
InChI: InChI=1S/C28H31NO6S2/c1-27(2,3)34-25(31)29(26(32)35-28(4,5)6)22(24(30)33-7)17-36-19-14-12-18(13-15-19)21-16-37-23-11-9-8-10-20(21)23/h8-17H,1-7H3/b22-17+
InChI key: VGUVSIQQZMJMPN-OQKWZONESA-N
SMILES: COC(=O)/C(=C\Sc1ccc(cc1)c1csc2ccccc12)/N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Systematic name  (3):
  • (E)-2-[ビス(tert-ブトキシカルボニル)アミノ]-3-[[4-(ベンゾ[b]チオフェン-3-イル)フェニル]チオ]プロペン酸メチル
  • メチル (2E)-3-{[4-(1-ベンゾチオフェン-3-イル)フェニル]スルファニル}-2-{ビス[(tert-ブトキシ)カルボニル]アミノ}プロパ-2-エノアート
  • methyl (2E)-3-{[4-(1-benzothiophen-3-yl)phenyl]sulfanyl}-2-{bis[(tert-butoxy)carbonyl]amino}prop-2-enoate
Other name (1):
  • (E)-2-[Bis(tert-butoxycarbonyl)amino]-3-[[4-(benzo[b]thiophene-3-yl)phenyl]thio]propenoic acid methyl ester
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