Chem
J-GLOBAL ID：200907045239892780
Nikkaji number：J1.684.350D
2-Methyl-6-[(benzyl)(2-benzothiazolylthio)amino]-2-hexenoic acid ethyl ester
2-メチル-6-[(ベンジル)(2-ベンゾチアゾリルチオ)アミノ]-2-ヘキセン酸エチル
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
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
Molecular formula： C23H26N2O2S2
Molecular formula furigana： C23-H26-N2-O2-S2
Molecular weight： 426.590
InChI：
InChI=1S/C23H26N2O2S2/c1-3-27-22(26)18(2)11-9-10-16-25(17-19-12-5-4-6-13-19)29-23-24-20-14-7-8-15-21(20)28-23/h4-8,11-15H,3,9-10,16-17H2,1-2H3
InChI key：
RSQCMTLXNDDHOC-UHFFFAOYSA-N
SMILES：
CCOC(=O)C(=CCCCN(Cc1ccccc1)Sc1nc2ccccc2s1)C
Systematic name (3)：
- 2-メチル-6-[(ベンジル)(2-ベンゾチアゾリルチオ)アミノ]-2-ヘキセン酸エチル
- エチル 6-[(1,3-ベンゾチアゾール-2-イルスルファニル)(ベンジル)アミノ]-2-メチルヘキサ-2-エノアート
- ethyl 6-[(1,3-benzothiazol-2-ylsulfanyl)(benzyl)amino]-2-methylhex-2-enoate
- 2-Methyl-6-[(benzyl)(2-benzothiazolylthio)amino]-2-hexenoic acid ethyl ester
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