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

Systemtic Name: tert-butyl N-[[2-(2-methylpropyl)-6-oxidanyl-1-oxidanylidene-4-thiophen-2-yl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-hydroxy-2-isobutyl-1-oxo-4-(2-thienyl)-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-hydroxy-2-(2-methylpropyl)-1-oxo-4-thiophen-2-yl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-hydroxy-2-(2-methylpropyl)-1-oxo-4-thiophen-2-ylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-hydroxy-2-isobutyl-1-keto-4-(2-thienyl)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)O)C3=CC=CS3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)O)C3=CC=CS3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N2O4S/c1-14(2)13-25-18(12-24-22(28)29-23(3,4)5)20(19-7-6-10-30-19)17-11-15(26)8-9-16(17)21(25)27/h6-11,14,26H,12-13H2,1-5H3,(H,24,28)