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

Systemtic Name: ethyl 5-(3-chloranylpropanoylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(3-chloropropanoylamino)-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(3-chloro-1-oxopropyl)amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-chloropropanoylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(3-chloropropanoylamino)-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4S/c1-2-26-18(25)15-12-10-27-16(20-13(23)8-9-19)14(12)17(24)22(21-15)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,20,23)