(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O6S/c1-31-19-10-9-15(13-18(19)24(28)29)21(26)16-7-3-4-8-17(16)22(27)30-14-20(25)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3