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

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-5-(9H-xanthen-9-ylcarbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-phenyl-5-(9H-xanthene-9-carbonylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-[[oxo(9H-xanthen-9-yl)methyl]amino]-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-phenyl-5-(9H-xanthene-9-carbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-5-(9H-xanthene-9-carbonylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C29H21N3O5S MolecularWeight: 523.55914

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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=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C29H21N3O5S/c1-2-36-29(35)25-20-16-38-27(24(20)28(34)32(31-25)17-10-4-3-5-11-17)30-26(33)23-18-12-6-8-14-21(18)37-22-15-9-7-13-19(22)23/h3-16,23H,2H2,1H3,(H,30,33)