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

Systemtic Name: ethyl 5-(4-chloranylbutanoylamino)-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(4-chlorobutanoylamino)-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(4-chloro-1-oxobutyl)amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorobutanoylamino)-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(4-chlorobutanoylamino)-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O4S/c1-3-28-20(27)17-14-11-29-18(22-15(25)5-4-10-21)16(14)19(26)24(23-17)13-8-6-12(2)7-9-13/h6-9,11H,3-5,10H2,1-2H3,(H,22,25)