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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-thiophen-2-yl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-isobutyl-1-oxo-6-(2-thienyl)-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-thiophen-2-yl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-thiophen-2-ylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-2-isobutyl-1-keto-6-(2-thienyl)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4S/c1-7-8-13-32-24-21-15-19(23-10-9-14-34-23)11-12-20(21)25(30)29(17-18(2)3)22(24)16-28-26(31)33-27(4,5)6/h9-12,14-15,18H,7-8,13,16-17H2,1-6H3,(H,28,31)