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

Systemtic Name: ethyl 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]thiazole-4-carboxylate CAS Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]thiazole-4-carboxylic acid ethyl ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)CN)CC(C)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)CN)CC(C)C

InChI

InChI=1S/C26H27N3O3S/c1-4-32-26(31)21-15-33-24(28-21)18-10-11-19-20(12-18)23(17-8-6-5-7-9-17)22(13-27)29(25(19)30)14-16(2)3/h5-12,15-16H,4,13-14,27H2,1-3H3