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

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-[[2-(5-nitro-2-oxo-1-pyridyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-[[2-(5-nitro-2-oxopyridin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[2-(2-keto-5-nitro-1-pyridyl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H16ClN3O6S MolecularWeight: 461.87554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN3O6S/c1-2-30-20(27)18-14(13-5-3-4-6-15(13)21)11-31-19(18)22-16(25)10-23-9-12(24(28)29)7-8-17(23)26/h3-9,11H,2,10H2,1H3,(H,22,25)