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

Systemtic Name: ethyl 4-[2-[(4-nitrophenyl)methylsulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-nitrophenyl)methylsulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-nitrophenyl)methylsulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-nitrobenzyl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5S/c1-2-24-16(21)18-9-7-17(8-10-18)15(20)12-25-11-13-3-5-14(6-4-13)19(22)23/h3-6H,2,7-12H2,1H3