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

Systemtic Name: ethyl 5-(cyclopropylcarbonylamino)-3-(3,4-dimethylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(cyclopropanecarbonylamino)-3-(3,4-dimethylphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[cyclopropyl(oxo)methyl]amino]-3-(3,4-dimethylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(cyclopropanecarbonylamino)-3-(3,4-dimethylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(cyclopropanecarbonylamino)-3-(3,4-dimethylphenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-4-28-21(27)17-15-10-29-19(22-18(25)13-6-7-13)16(15)20(26)24(23-17)14-8-5-11(2)12(3)9-14/h5,8-10,13H,4,6-7H2,1-3H3,(H,22,25)