Chem
J-GLOBAL ID:200907096310308487
Nikkaji number:J2.048.490J
3-[Isopropyl(4β-methylcyclohexane-1α-ylcarbonyl)amino]-5-phenylthiophene-2-carboxylic acid
3-[イソプロピル(4β-メチルシクロヘキサン-1α-イルカルボニル)アミノ]-5-フェニルチオフェン-2-カルボン酸
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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:
C22 H27 NO3 S
Molecular formula furigana:
C22-H27-N-O3-S
Molecular weight:
385.520
InChI:
InChI=1S/C22H27NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26)/t15-,17-
InChI key:
RZXQBIKGWSLVEK-JCNLHEQBSA-N
SMILES:
CC(C)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(=O)O)c1ccccc1
Systematic name (3):
3-[イソプロピル(4β-メチルシクロヘキサン-1α-イルカルボニル)アミノ]-5-フェニルチオフェン-2-カルボン酸
5-フェニル-3-[N-(プロパン-2-イル)(1r,4r)-4-メチルシクロヘキサネアミド]チオフェン-2-カルボン酸
5-phenyl-3-[N-(propan-2-yl)(1r,4r)-4-methylcyclohexaneamido]thiophene-2-carboxylic acid
Other name (1):
3-[Isopropyl(4β-methylcyclohexane-1α-ylcarbonyl)amino]-5-phenylthiophene-2-carboxylic acid
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