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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-6-(4-methyl-1,3-thiazol-2-yl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-isobutyl-6-(4-methylthiazol-2-yl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2-methylpropyl)-6-(4-methyl-2-thiazolyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-6-(4-methyl-1,3-thiazol-2-yl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-2-isobutyl-1-keto-6-(4-methylthiazol-2-yl)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C27H37N3O4S MolecularWeight: 499.66538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H37N3O4S/c1-8-9-12-33-23-21-13-19(24-29-18(4)16-35-24)10-11-20(21)25(31)30(15-17(2)3)22(23)14-28-26(32)34-27(5,6)7/h10-11,13,16-17H,8-9,12,14-15H2,1-7H3,(H,28,32)