ethyl 4-[[4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-nitro-phenyl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-nitro-phenyl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-nitro-benzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[(2-ethoxy-2-oxoethyl)thio]-3-nitrophenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-ethoxy-2-oxoethyl)sulfanyl-3-nitrobenzoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(2-ethoxy-2-keto-ethyl)thio]-3-nitro-benzoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H25N3O7S MolecularWeight: 439.4827

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NC2CCN(CC2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NC2CCN(CC2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O7S/c1-3-28-17(23)12-30-16-6-5-13(11-15(16)22(26)27)18(24)20-14-7-9-21(10-8-14)19(25)29-4-2/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,20,24)