ethyl 2-(4-methyl-2-thiophen-2-yl-piperazin-1-yl)benzoate

Systemtic Name: ethyl 2-(4-methyl-2-thiophen-2-yl-piperazin-1-yl)benzoate Openeye Name: ethyl 2-[4-methyl-2-(2-thienyl)piperazin-1-yl]benzoate CAS Name: 2-(4-methyl-2-thiophen-2-yl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-(4-methyl-2-thiophen-2-ylpiperazin-1-yl)benzoate Traditional Name: 2-[4-methyl-2-(2-thienyl)piperazino]benzoic acid ethyl ester Formula: C18H22N2O2S MolecularWeight: 330.44448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2CCN(CC2C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2CCN(CC2C3=CC=CS3)C

InChI

InChI=1S/C18H22N2O2S/c1-3-22-18(21)14-7-4-5-8-15(14)20-11-10-19(2)13-16(20)17-9-6-12-23-17/h4-9,12,16H,3,10-11,13H2,1-2H3