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

Systemtic Name: ethyl 5-(2-chloranylethanoylamino)-3-(2-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(2-chloroacetyl)amino]-3-(2-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-3-(2-fluorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloroacetyl)amino]-3-(2-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(2-chloroacetyl)amino]-3-(2-fluorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C17H13ClFN3O4S MolecularWeight: 409.819223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCl)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCl)C3=CC=CC=C3F

InChI

InChI=1S/C17H13ClFN3O4S/c1-2-26-17(25)14-9-8-27-15(20-12(23)7-18)13(9)16(24)22(21-14)11-6-4-3-5-10(11)19/h3-6,8H,2,7H2,1H3,(H,20,23)