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

Systemtic Name: ethyl 3-(4-methoxyphenyl)-5-(3-methylbutanoylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-methoxyphenyl)-5-(3-methylbutanoylamino)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-5-[(3-methyl-1-oxobutyl)amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxyphenyl)-5-(3-methylbutanoylamino)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(isovalerylamino)-4-keto-3-(4-methoxyphenyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-5-29-21(27)18-15-11-30-19(22-16(25)10-12(2)3)17(15)20(26)24(23-18)13-6-8-14(28-4)9-7-13/h6-9,11-12H,5,10H2,1-4H3,(H,22,25)