ethyl 3-(4-fluorophenyl)-4-oxidanylidene-5-(9H-xanthen-9-ylcarbonylamino)thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 3-(4-fluorophenyl)-4-oxidanylidene-5-(9H-xanthen-9-ylcarbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-fluorophenyl)-4-oxo-5-(9H-xanthene-9-carbonylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-fluorophenyl)-4-oxo-5-[[oxo(9H-xanthen-9-yl)methyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-4-oxo-5-(9H-xanthene-9-carbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-keto-5-(9H-xanthene-9-carbonylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C29H20FN3O5S MolecularWeight: 541.549603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C6=CC=C(C=C6)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C6=CC=C(C=C6)F

InChI

InChI=1S/C29H20FN3O5S/c1-2-37-29(36)25-20-15-39-27(24(20)28(35)33(32-25)17-13-11-16(30)12-14-17)31-26(34)23-18-7-3-5-9-21(18)38-22-10-6-4-8-19(22)23/h3-15,23H,2H2,1H3,(H,31,34)