ethyl 4-[3-(3-chlorophenyl)-1-thiophen-2-yl-prop-2-ynyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(3-chlorophenyl)-1-thiophen-2-yl-prop-2-ynyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3-chlorophenyl)-1-(2-thienyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-chlorophenyl)-1-thiophen-2-ylprop-2-ynyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-chlorophenyl)-1-thiophen-2-ylprop-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-(2-thienyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C#CC2=CC(=CC=C2)Cl)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C#CC2=CC(=CC=C2)Cl)C3=CC=CS3

InChI

InChI=1S/C20H21ClN2O2S/c1-2-25-20(24)23-12-10-22(11-13-23)18(19-7-4-14-26-19)9-8-16-5-3-6-17(21)15-16/h3-7,14-15,18H,2,10-13H2,1H3