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

Systemtic Name: ethyl 4-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-2-26-21(25)23-12-10-17(11-13-23)20(24)22-18-6-3-5-16(15-18)8-9-19-7-4-14-27-19/h3-7,14-15,17H,2,10-13H2,1H3,(H,22,24)