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

Systemtic Name: ethyl 3-(4-chlorophenyl)-5-(naphthalen-2-ylcarbonylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-chlorophenyl)-5-(naphthalene-2-carbonylamino)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-chlorophenyl)-5-[[2-naphthalenyl(oxo)methyl]amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-5-(naphthalene-2-carbonylamino)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-keto-5-(2-naphthoylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C26H18ClN3O4S MolecularWeight: 503.95682

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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)Cl

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)Cl

InChI

InChI=1S/C26H18ClN3O4S/c1-2-34-26(33)22-20-14-35-24(21(20)25(32)30(29-22)19-11-9-18(27)10-12-19)28-23(31)17-8-7-15-5-3-4-6-16(15)13-17/h3-14H,2H2,1H3,(H,28,31)