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

Systemtic Name: ethyl 4-[3-(3-chlorophenyl)-1-thiophen-3-yl-prop-2-ynyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3-chlorophenyl)-1-(3-thienyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-chlorophenyl)-1-(3-thiophenyl)prop-2-ynyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-chlorophenyl)-1-thiophen-3-ylprop-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-(3-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=CSC=C3

Isomeric SMILES

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

InChI

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