Chem
J-GLOBAL ID:200907091445968817
Nikkaji number:J2.186.456K
3-Amino-4-(2-chloroethyl)-5-pyrrolizinothiophene-2-carboxylic acid methyl ester
3-アミノ-4-(2-クロロエチル)-5-ピロリジノチオフェン-2-カルボン酸メチル
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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:
C12 H17 ClN2 O2 S
Molecular formula furigana:
C12-H17-CL-N2-O2-S
Molecular weight:
288.790
InChI:
InChI=1S/C12H17ClN2O2S/c1-17-12(16)10-9(14)8(4-5-13)11(18-10)15-6-2-3-7-15/h2-7,14H2,1H3
InChI key:
UTBFQTQGHADDEM-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(N2CCCC2)c(CCCl)c1N
Systematic name (3):
3-アミノ-4-(2-クロロエチル)-5-ピロリジノチオフェン-2-カルボン酸メチル
メチル 3-アミノ-4-(2-クロロエチル)-5-(ピロリジン-1-イル)チオフェン-2-カルボキシラート
methyl 3-amino-4-(2-chloroethyl)-5-(pyrrolidin-1-yl)thiophene-2-carboxylate
Other name (1):
3-Amino-4-(2-chloroethyl)-5-pyrrolizinothiophene-2-carboxylic acid methyl ester
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