tert-butyl N-[[4-butoxy-6-(4-cyano-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-butoxy-6-(4-cyano-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-6-(4-cyanothiazol-2-yl)-2-isobutyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-6-(4-cyano-2-thiazolyl)-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-6-(4-cyano-1,3-thiazol-2-yl)-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-6-(4-cyanothiazol-2-yl)-2-isobutyl-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=CS3)C#N)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#N)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H34N4O4S/c1-7-8-11-34-23-21-12-18(24-30-19(13-28)16-36-24)9-10-20(21)25(32)31(15-17(2)3)22(23)14-29-26(33)35-27(4,5)6/h9-10,12,16-17H,7-8,11,14-15H2,1-6H3,(H,29,33)