butyl 3-(aminomethyl)-2-(1,2-dihydroisoquinolin-6-yl)-5-ethyl-2-(2-methylpropyl)-1-oxidanylidene-1,3-thiazole-4-carboperoxoate

Systemtic Name: butyl 3-(aminomethyl)-2-(1,2-dihydroisoquinolin-6-yl)-5-ethyl-2-(2-methylpropyl)-1-oxidanylidene-1,3-thiazole-4-carboperoxoate Openeye Name: butyl 3-(aminomethyl)-2-(1,2-dihydroisoquinolin-6-yl)-5-ethyl-2-isobutyl-1-oxo-thiazole-4-carboperoxoate CAS Name: 3-(aminomethyl)-2-(1,2-dihydroisoquinolin-6-yl)-5-ethyl-2-(2-methylpropyl)-1-oxo-4-thiazolecarboperoxoic acid butyl ester IUPAC Name: butyl 3-(aminomethyl)-2-(1,2-dihydroisoquinolin-6-yl)-5-ethyl-2-(2-methylpropyl)-1-oxo-1,3-thiazole-4-carboperoxoate Traditional Name: 3-(aminomethyl)-2-(1,2-dihydroisoquinolin-6-yl)-5-ethyl-2-isobutyl-1-keto-thiazole-4-carboperoxoic acid butyl ester Formula: C24H35N3O4S MolecularWeight: 461.6174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOOC(=O)C1=C(S(=O)C(N1CN)(CC(C)C)C2=CC3=C(CNC=C3)C=C2)CC

Isomeric SMILES

CCCCOOC(=O)C1=C(S(=O)C(N1CN)(CC(C)C)C2=CC3=C(CNC=C3)C=C2)CC

InChI

InChI=1S/C24H35N3O4S/c1-5-7-12-30-31-23(28)22-21(6-2)32(29)24(14-17(3)4,27(22)16-25)20-9-8-19-15-26-11-10-18(19)13-20/h8-11,13,17,26H,5-7,12,14-16,25H2,1-4H3