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

Systemtic Name: ethyl 5-ethyl-4-methyl-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-4-methyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-4-methyl-2-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-4-methyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-ketocinnolin-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-4-16-12(3)18(20(26)27-5-2)19(28-16)22-17(25)11-23-14-9-7-6-8-13(14)15(24)10-21-23/h6-10H,4-5,11H2,1-3H3,(H,22,25)