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

Systemtic Name: ethyl 3-methyl-5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[3-nitro-4-(1-piperidyl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[(3-nitro-4-piperidino-benzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O5S/c1-3-28-20(25)18-13(2)11-17(29-18)21-19(24)14-7-8-15(16(12-14)23(26)27)22-9-5-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,21,24)