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

Systemtic Name: ethyl 5-(3-chloranylpropanoylamino)-3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(3-chloropropanoylamino)-3-(4-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(3-chloro-1-oxopropyl)amino]-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-chloropropanoylamino)-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(3-chloropropanoylamino)-4-keto-3-(4-methoxyphenyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O5S/c1-3-28-19(26)16-13-10-29-17(21-14(24)8-9-20)15(13)18(25)23(22-16)11-4-6-12(27-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,21,24)