ethyl 5-methyl-2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-(5-nitro-2-oxo-1-pyridyl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[2-(5-nitro-2-oxopyridin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-keto-5-nitro-1-pyridyl)acetyl]amino]-5-methyl-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)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

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