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

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-5-(2-thiophen-2-ylethanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-phenyl-5-[[2-(2-thienyl)acetyl]amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-phenyl-5-[(2-thiophen-2-ylacetyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-5-[[2-(2-thienyl)acetyl]amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O4S2/c1-2-28-21(27)18-15-12-30-19(22-16(25)11-14-9-6-10-29-14)17(15)20(26)24(23-18)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,22,25)