(4-methoxycarbonylphenyl)methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-2-yl-pyridazine-4-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-2-yl-pyridazine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-3-(2-thienyl)pyridazine-4-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-thiophen-2-yl-4-pyridazinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxo-3-thiophen-2-ylpyridazine-4-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-3-(2-thienyl)pyridazine-4-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C29H24N4O5S MolecularWeight: 540.58966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=CS2)C(=O)OCC3=CC=C(C=C3)C(=O)OC)NC4=CN=CC5=CC=CC=C54

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=CS2)C(=O)OCC3=CC=C(C=C3)C(=O)OC)NC4=CN=CC5=CC=CC=C54

InChI

InChI=1S/C29H24N4O5S/c1-3-33-27(34)26(31-22-16-30-15-20-7-4-5-8-21(20)22)24(25(32-33)23-9-6-14-39-23)29(36)38-17-18-10-12-19(13-11-18)28(35)37-2/h4-16,31H,3,17H2,1-2H3