ethyl (3S)-1-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2-chloro-5-nitro-phenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2-chloro-5-nitrophenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C15H18ClN3O4S MolecularWeight: 371.83912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O4S/c1-2-23-14(20)10-4-3-7-18(9-10)15(24)17-13-8-11(19(21)22)5-6-12(13)16/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,24)/t10-/m0/s1