ethyl 4-[2-(4-nitrophenyl)sulfanylethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-nitrophenyl)sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(4-nitrophenyl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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