ethyl 4-methyl-2-[3-(4-oxidanylidenecinnolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[3-(4-oxidanylidenecinnolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[3-(4-oxocinnolin-1-yl)propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-(4-oxo-1-cinnolinyl)propyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[3-(4-oxocinnolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(4-ketocinnolin-1-yl)propanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2)C

InChI

InChI=1S/C18H18N4O4S/c1-3-26-17(25)16-11(2)20-18(27-16)21-15(24)8-9-22-13-7-5-4-6-12(13)14(23)10-19-22/h4-7,10H,3,8-9H2,1-2H3,(H,20,21,24)