2-[4-butoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[4-butoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-6-isoquinolyl]thiazole-4-carboxylate CAS Name: 2-[4-butoxy-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]-4-thiazolecarboxylate IUPAC Name: 2-[4-butoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-6-isoquinolyl]thiazole-4-carboxylate Formula: C27H34N3O6S- MolecularWeight: 528.64036

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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)[O-])CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=CS3)C(=O)[O-])CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H35N3O6S/c1-7-8-11-35-22-19-12-17(23-29-20(15-37-23)25(32)33)9-10-18(19)24(31)30(14-16(2)3)21(22)13-28-26(34)36-27(4,5)6/h9-10,12,15-16H,7-8,11,13-14H2,1-6H3,(H,28,34)(H,32,33)/p-1