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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C3=CC=CC=C3C(=O)C=N2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C3=CC=CC=C3C(=O)C=N2)C

InChI

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