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

Systemtic Name: ethyl 5-(2-ethylbutanoylamino)-3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(2-ethylbutanoylamino)-3-(4-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(2-ethyl-1-oxobutyl)amino]-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-ethylbutanoylamino)-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(2-ethylbutanoylamino)-4-keto-3-(4-methoxyphenyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCC(CC)C(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C22H25N3O5S/c1-5-13(6-2)19(26)23-20-17-16(12-31-20)18(22(28)30-7-3)24-25(21(17)27)14-8-10-15(29-4)11-9-14/h8-13H,5-7H2,1-4H3,(H,23,26)