1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C23H17FN4O3S MolecularWeight: 448.469483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H17FN4O3S/c1-12-17-11-19(32-22(17)28(27-12)15-9-7-14(24)8-10-15)23(30)31-13(2)20-25-18-6-4-3-5-16(18)21(29)26-20/h3-11,13H,1-2H3,(H,25,26,29)