ethyl 4-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6S/c1-3-27-18(23)20-8-6-14(7-9-20)19-17(22)12-28-11-13-4-5-16(26-2)15(10-13)21(24)25/h4-5,10,14H,3,6-9,11-12H2,1-2H3,(H,19,22)