2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-2-yl-pyridazine-4-carboxylate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-2-yl-pyridazine-4-carboxylate Openeye Name: 2-(tert-butoxycarbonylamino)ethyl 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 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 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 2-(tert-butoxycarbonylamino)ethyl ester Formula: C27H29N5O5S MolecularWeight: 535.61466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=CS2)C(=O)OCCNC(=O)OC(C)(C)C)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=CS2)C(=O)OCCNC(=O)OC(C)(C)C)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C27H29N5O5S/c1-5-32-24(33)23(30-19-16-28-15-17-9-6-7-10-18(17)19)21(22(31-32)20-11-8-14-38-20)25(34)36-13-12-29-26(35)37-27(2,3)4/h6-11,14-16,30H,5,12-13H2,1-4H3,(H,29,35)