ethyl 3-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[3-nitro-4-(1-piperidyl)benzoyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[(3-nitro-4-piperidino-benzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O5S/c1-2-33-25(30)23-19(16-22(34-23)17-9-5-3-6-10-17)26-24(29)18-11-12-20(21(15-18)28(31)32)27-13-7-4-8-14-27/h3,5-6,9-12,15-16H,2,4,7-8,13-14H2,1H3,(H,26,29)