ethyl (3S)-1-[(4-nitrophenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-nitrophenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-nitrophenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(4-nitroanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-nitrophenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(4-nitrophenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O4S/c1-2-22-14(19)11-4-3-9-17(10-11)15(23)16-12-5-7-13(8-6-12)18(20)21/h5-8,11H,2-4,9-10H2,1H3,(H,16,23)/t11-/m0/s1