ethyl 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C(=O)OCC)C)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C(=O)OCC)C)CC(C)C)CN

InChI

InChI=1S/C25H33N3O4S/c1-6-8-11-32-21-19-12-17(23-27-16(5)22(33-23)25(30)31-7-2)9-10-18(19)24(29)28(14-15(3)4)20(21)13-26/h9-10,12,15H,6-8,11,13-14,26H2,1-5H3