tert-butyl 4-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-[2-(2-thienyl)ethynyl]phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[3-(2-thiophen-2-ylethynyl)anilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[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)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

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