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

Systemtic Name: ethyl 5-(butanoylamino)-3-(3-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(butanoylamino)-3-(m-tolyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(3-methylphenyl)-4-oxo-5-(1-oxobutylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butanoylamino)-3-(3-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-butyramido-4-keto-3-(m-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=CC(=C3)C)C(=O)OCC

Isomeric SMILES

CCCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=CC(=C3)C)C(=O)OCC

InChI

InChI=1S/C20H21N3O4S/c1-4-7-15(24)21-18-16-14(11-28-18)17(20(26)27-5-2)22-23(19(16)25)13-9-6-8-12(3)10-13/h6,8-11H,4-5,7H2,1-3H3,(H,21,24)