ethyl 4-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-methylsulfanyl-3-nitro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylsulfanyl-3-nitrobenzoyl)piperazine-1-carboxylate Traditional Name: 4-[4-(methylthio)-3-nitro-benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5S/c1-3-23-15(20)17-8-6-16(7-9-17)14(19)11-4-5-13(24-2)12(10-11)18(21)22/h4-5,10H,3,6-9H2,1-2H3