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

Systemtic Name: ethyl 5-(4-chloranylbutanoylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(4-chlorobutanoylamino)-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(4-chloro-1-oxobutyl)amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorobutanoylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(4-chlorobutanoylamino)-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4S/c1-2-27-19(26)16-13-11-28-17(21-14(24)9-6-10-20)15(13)18(25)23(22-16)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,21,24)