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

Systemtic Name: ethyl 5-(3-methylbutanoylamino)-3-(3-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(3-methylbutanoylamino)-3-(m-tolyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(3-methyl-1-oxobutyl)amino]-3-(3-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-methylbutanoylamino)-3-(3-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(isovalerylamino)-4-keto-3-(m-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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=CC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-5-28-21(27)18-15-11-29-19(22-16(25)9-12(2)3)17(15)20(26)24(23-18)14-8-6-7-13(4)10-14/h6-8,10-12H,5,9H2,1-4H3,(H,22,25)