ethyl 2-[2-(6-methyl-2-nitro-pyridin-3-yl)oxyethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(6-methyl-2-nitro-pyridin-3-yl)oxyethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-methyl-2-nitropyridin-3-yl)oxyacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetyl]amino]-5-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(=C1)C2=CC=CC=C2)NC(=O)COC3=C(N=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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