tert-butyl 3-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[3-[2-(2-thienyl)ethynyl]phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[3-(2-thiophen-2-ylethynyl)anilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[3-[2-(2-thienyl)ethynyl]phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

InChI=1S/C23H26N2O3S/c1-23(2,3)28-22(27)25-13-5-8-18(16-25)21(26)24-19-9-4-7-17(15-19)11-12-20-10-6-14-29-20/h4,6-7,9-10,14-15,18H,5,8,13,16H2,1-3H3,(H,24,26)