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

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-(5-nitro-2-oxo-1-pyridyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[[2-(5-nitro-2-oxopyridin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-(2-keto-5-nitro-1-pyridyl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-4-27-18(24)16-12(7-11(2)3)10-28-17(16)19-14(22)9-20-8-13(21(25)26)5-6-15(20)23/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,19,22)