ethyl 5-ethyl-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-ketocinnolin-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2C3=CC=CC=C3C(=O)C=N2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2C3=CC=CC=C3C(=O)C=N2)C(=O)OCC

InChI

InChI=1S/C19H19N3O4S/c1-3-12-9-14(19(25)26-4-2)18(27-12)21-17(24)11-22-15-8-6-5-7-13(15)16(23)10-20-22/h5-10H,3-4,11H2,1-2H3,(H,21,24)