3-{[3-Chloro-2-(2-trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid tert-butyl ester

HCID 68451228

Basic information

Standard SMILES: CC(C)(C)OC(=O)CCNCc1ccc2sc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)c(Cl)c2c1
InChIKey: KDPCSNIMXLCRGB-UHFFFAOYSA-N
Molecular formula: C29H27ClF3NO2S
Average molar mass: 546 g/mol

Preferred name: 3-{[3-Chloro-2-(2-trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid tert-butyl ester
IUPAC: tert-butyl 3-[[3-chloro-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoate

3-{[3-Chloro-2-(2-trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid tert-butyl esterSCHEMBL2941597

5 records

HRID 86672As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1549000As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2220284As reactantuspto-grants-2008_08

HRID 2353372As productuspto-grants-2010_07

HRID 2353373As reactantuspto-grants-2010_07

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Standard SMILES: CC(C)(C)OC(=O)CCNCc1ccc2sc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)c(Cl)c2c1
InChIKey: KDPCSNIMXLCRGB-UHFFFAOYSA-N
Molecular formula: C29H27ClF3NO2S
Average molar mass: 546 g/mol

Preferred name: 3-{[3-Chloro-2-(2-trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid tert-butyl ester
IUPAC: tert-butyl 3-[[3-chloro-2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoate