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

Systemtic Name: 2-acetyloxyethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-3-yl-pyridazine-4-carboxylate Openeye Name: 2-acetoxyethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-3-(3-thienyl)pyridazine-4-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-(3-thiophenyl)-4-pyridazinecarboxylic acid 2-acetyloxyethyl ester IUPAC Name: 2-acetyloxyethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxo-3-thiophen-3-ylpyridazine-4-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-3-(3-thienyl)pyridazine-4-carboxylic acid 2-acetoxyethyl ester Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CSC=C2)C(=O)OCCOC(=O)C)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CSC=C2)C(=O)OCCOC(=O)C)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C24H22N4O5S/c1-3-28-23(30)22(26-19-13-25-12-16-6-4-5-7-18(16)19)20(21(27-28)17-8-11-34-14-17)24(31)33-10-9-32-15(2)29/h4-8,11-14,26H,3,9-10H2,1-2H3