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

Systemtic Name: ethyl 5-(3-chloranylpropanoylamino)-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(3-chloropropanoylamino)-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(3-chloro-1-oxopropyl)amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-chloropropanoylamino)-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(3-chloropropanoylamino)-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C19H18ClN3O4S MolecularWeight: 419.88192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4S/c1-3-27-19(26)16-13-10-28-17(21-14(24)8-9-20)15(13)18(25)23(22-16)12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,21,24)