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

Systemtic Name: ethyl 3-(4-methylphenyl)-4-oxidanylidene-5-(9H-xanthen-9-ylcarbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-(p-tolyl)-5-(9H-xanthene-9-carbonylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methylphenyl)-4-oxo-5-[[oxo(9H-xanthen-9-yl)methyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)-4-oxo-5-(9H-xanthene-9-carbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-(p-tolyl)-5-(9H-xanthene-9-carbonylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C30H23N3O5S MolecularWeight: 537.58572

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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)C

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)C

InChI

InChI=1S/C30H23N3O5S/c1-3-37-30(36)26-21-16-39-28(25(21)29(35)33(32-26)18-14-12-17(2)13-15-18)31-27(34)24-19-8-4-6-10-22(19)38-23-11-7-5-9-20(23)24/h4-16,24H,3H2,1-2H3,(H,31,34)