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

Systemtic Name: ethyl 5-ethyl-2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(5-nitro-2-oxo-1-pyridyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(5-nitro-2-oxopyridin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(2-keto-5-nitro-1-pyridyl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H17N3O6S/c1-3-11-7-12(16(22)25-4-2)15(26-11)17-13(20)9-18-8-10(19(23)24)5-6-14(18)21/h5-8H,3-4,9H2,1-2H3,(H,17,20)