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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C20H21N3O4S/c1-4-27-20(26)14-9-17(12(2)3)28-19(14)22-18(25)11-23-15-8-6-5-7-13(15)16(24)10-21-23/h5-10,12H,4,11H2,1-3H3,(H,22,25)