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

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-(5-nitro-2-oxo-1-pyridyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-(5-nitro-2-oxopyridin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-(2-keto-5-nitro-1-pyridyl)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C

InChI

InChI=1S/C17H19N3O6S/c1-4-12-10(3)27-16(15(12)17(23)26-5-2)18-13(21)9-19-8-11(20(24)25)6-7-14(19)22/h6-8H,4-5,9H2,1-3H3,(H,18,21)