ethyl 4-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2-chloro-6-fluorophenyl)methylthio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-chloro-6-fluoro-benzyl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H20ClFN2O3S MolecularWeight: 374.858003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H20ClFN2O3S/c1-2-23-16(22)20-8-6-19(7-9-20)15(21)11-24-10-12-13(17)4-3-5-14(12)18/h3-5H,2,6-11H2,1H3