Chem
J-GLOBAL ID：201407093138276838   Nikkaji number：J3.300.614D

2-Methoxy-3-methyl-5-(1-(2-oxo-3,7-dimethyl-2,3-dihydrobenzoxazole-5-yl)-5-(5-methyl 1,3,4-oxadiazole-2-yl)-1-pentenyl)thiobenzoic acid S-methyl ester

2-メトキシ-3-メチル-5-(1-(2-オキソ-3,7-ジメチル-2,3-ジヒドロベンゾオキサゾール-5-イル)-5-(5-メチル1,3,4-オキサジアゾール-2-イル)-1-ペンテニル)チオ安息香酸S-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： C27H29N3O5S
Molecular formula furigana： C27-H29-N3-O5-S
Molecular weight： 507.610
InChI： InChI=1S/C27H29N3O5S/c1-15-11-18(13-21(24(15)33-5)26(31)36-6)20(9-7-8-10-23-29-28-17(3)34-23)19-12-16(2)25-22(14-19)30(4)27(32)35-25/h9,11-14H,7-8,10H2,1-6H3
InChI key： OIXOQSQILWVOGS-UHFFFAOYSA-N
SMILES： COc1c(C)cc(cc1C(=O)SC)C(=CCCCc1nnc(C)o1)c1cc(C)c2oc(=O)n(C)c2c1
Systematic name  (3)：
  • 2-メトキシ-3-メチル-5-(1-(2-オキソ-3,7-ジメチル-2,3-ジヒドロベンゾオキサゾール-5-イル)-5-(5-メチル1,3,4-オキサジアゾール-2-イル)-1-ペンテニル)チオ安息香酸S-メチル
  • 5-(1-{4-メトキシ-3-メチル-5-[(メチルスルファニル)カルボニル]フェニル}-5-(5-メチル-1,3,4-オキサジアゾール-2-イル)ペンタ-1-エン-1-イル)-3,7-ジメチル-2,3-ジヒドロ-1,3-ベンゾオキサゾール-2-オン
  • 5-(1-{4-methoxy-3-methyl-5-[(methylsulfanyl)carbonyl]phenyl}-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl)-3,7-dimethyl-2,3-dihydro-1,3-benzoxazol-2-one
Other name (1)：
  • 2-Methoxy-3-methyl-5-(1-(2-oxo-3,7-dimethyl-2,3-dihydrobenzoxazole-5-yl)-5-(5-methyl 1,3,4-oxadiazole-2-yl)-1-pentenyl)thiobenzoic acid S-methyl ester
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