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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(5-nitro-2-oxo-1-pyridyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(5-nitro-2-oxopyridin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(2-keto-5-nitro-1-pyridyl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

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