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

Systemtic Name: ethyl 5-(cyclopropylcarbonylamino)-3-(3-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[cyclopropyl(oxo)methyl]amino]-3-(3-fluorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C19H16FN3O4S MolecularWeight: 401.411443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3CC3)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3CC3)C4=CC(=CC=C4)F

InChI

InChI=1S/C19H16FN3O4S/c1-2-27-19(26)15-13-9-28-17(21-16(24)10-6-7-10)14(13)18(25)23(22-15)12-5-3-4-11(20)8-12/h3-5,8-10H,2,6-7H2,1H3,(H,21,24)