ethyl 1-[(2R)-2-acetamido-3-(3-nitrophenyl)sulfanyl-propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-2-acetamido-3-(3-nitrophenyl)sulfanyl-propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-acetamido-3-(3-nitrophenyl)sulfanyl-propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-2-acetamido-3-[(3-nitrophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-acetamido-3-(3-nitrophenyl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2R)-2-acetamido-3-[(3-nitrophenyl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CSC2=CC=CC(=C2)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](CSC2=CC=CC(=C2)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C19H25N3O6S/c1-3-28-19(25)14-7-9-21(10-8-14)18(24)17(20-13(2)23)12-29-16-6-4-5-15(11-16)22(26)27/h4-6,11,14,17H,3,7-10,12H2,1-2H3,(H,20,23)/t17-/m0/s1