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

Systemtic Name: ethyl 4,5-dimethyl-2-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[1-(2-nitrophenyl)isonipecotoyl]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)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-4-29-21(26)18-13(2)14(3)30-20(18)22-19(25)15-9-11-23(12-10-15)16-7-5-6-8-17(16)24(27)28/h5-8,15H,4,9-12H2,1-3H3,(H,22,25)