(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 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 (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 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 (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C24H17FN2O5S MolecularWeight: 464.465583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H17FN2O5S/c1-13-19-11-21(33-23(19)27(26-13)16-5-3-15(25)4-6-16)24(29)31-12-14-9-22(28)32-20-10-17(30-2)7-8-18(14)20/h3-11H,12H2,1-2H3