ethyl 5-ethyl-2-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[5-nitro-2-(1-piperidyl)benzoyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(5-nitro-2-piperidino-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C(=O)OCC

InChI

InChI=1S/C21H25N3O5S/c1-3-15-13-17(21(26)29-4-2)20(30-15)22-19(25)16-12-14(24(27)28)8-9-18(16)23-10-6-5-7-11-23/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,22,25)