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

Systemtic Name: ethyl 5-(2-ethylbutanoylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(2-ethylbutanoylamino)-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(2-ethyl-1-oxobutyl)amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-ethylbutanoylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(2-ethylbutanoylamino)-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-4-13(5-2)18(25)22-19-16-15(12-29-19)17(21(27)28-6-3)23-24(20(16)26)14-10-8-7-9-11-14/h7-13H,4-6H2,1-3H3,(H,22,25)