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

Systemtic Name: ethyl 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]thiazole-4-carboxylate CAS Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]thiazole-4-carboxylic acid ethyl ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=CS3)C(=O)OCC)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=CS3)C(=O)OCC)CC(C)C)CN

InChI

InChI=1S/C24H31N3O4S/c1-5-7-10-31-21-18-11-16(22-26-19(14-32-22)24(29)30-6-2)8-9-17(18)23(28)27(13-15(3)4)20(21)12-25/h8-9,11,14-15H,5-7,10,12-13,25H2,1-4H3