ethyl 4-[2-[(2-chlorophenyl)methylsulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-chlorophenyl)methylsulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2-chlorophenyl)methylthio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-chlorobenzyl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21ClN2O3S MolecularWeight: 356.86754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O3S/c1-2-22-16(21)19-9-7-18(8-10-19)15(20)12-23-11-13-5-3-4-6-14(13)17/h3-6H,2,7-12H2,1H3