ethyl 5-methyl-2-[2-(2-nitropyridin-3-yl)oxyethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[2-(2-nitropyridin-3-yl)oxyethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[2-(2-nitropyridin-3-yl)oxyacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-3-29-21(26)18-17(14-8-5-4-6-9-14)13(2)31-20(18)23-16(25)12-30-15-10-7-11-22-19(15)24(27)28/h4-11H,3,12H2,1-2H3,(H,23,25)