[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl] ester Formula: C20H24ClN3O4S2 MolecularWeight: 470.00526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)N1CCN(CC1)CC2=CC=C(S2)Cl)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)N1CCN(CC1)CC2=CC=C(S2)Cl)C3=CC=CS3

InChI

InChI=1S/C20H24ClN3O4S2/c1-14(25)22-16(17-3-2-10-29-17)11-20(27)28-13-19(26)24-8-6-23(7-9-24)12-15-4-5-18(21)30-15/h2-5,10,16H,6-9,11-13H2,1H3,(H,22,25)