ethyl 3-(4-methoxyphenyl)-5-(naphthalen-2-ylcarbonylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 3-(4-methoxyphenyl)-5-(naphthalen-2-ylcarbonylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-methoxyphenyl)-5-(naphthalene-2-carbonylamino)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-5-[[2-naphthalenyl(oxo)methyl]amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxyphenyl)-5-(naphthalene-2-carbonylamino)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-(4-methoxyphenyl)-5-(2-naphthoylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H21N3O5S/c1-3-35-27(33)23-21-15-36-25(28-24(31)18-9-8-16-6-4-5-7-17(16)14-18)22(21)26(32)30(29-23)19-10-12-20(34-2)13-11-19/h4-15H,3H2,1-2H3,(H,28,31)