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

Systemtic Name: ethyl 4,5-dimethyl-2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[3-nitro-4-(1-piperidyl)benzoyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(3-nitro-4-piperidino-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

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