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
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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:
C23 H26 N2 O2 S2
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
Other name (1):
2-Methyl-6-[(benzyl)(2-benzothiazolylthio)amino]-2-hexenoic acid ethyl ester
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