ethyl 4-(3-nitro-4-piperidin-1-yl-phenyl)carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-(3-nitro-4-piperidin-1-yl-phenyl)carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-[3-nitro-4-(1-piperidyl)benzoyl]thiomorpholine-3-carboxylate CAS Name: 4-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitro-4-piperidin-1-ylbenzoyl)thiomorpholine-3-carboxylate Traditional Name: 4-(3-nitro-4-piperidino-benzoyl)thiomorpholine-3-carboxylic acid ethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O5S/c1-2-27-19(24)17-13-28-11-10-21(17)18(23)14-6-7-15(16(12-14)22(25)26)20-8-4-3-5-9-20/h6-7,12,17H,2-5,8-11,13H2,1H3