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

Systemtic Name: tert-butyl N-[[6-cyano-2-(2-methylpropyl)-1-oxidanylidene-4-thiophen-2-yl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-cyano-2-isobutyl-1-oxo-4-(2-thienyl)-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-cyano-2-(2-methylpropyl)-1-oxo-4-thiophen-2-yl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-cyano-2-(2-methylpropyl)-1-oxo-4-thiophen-2-ylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-cyano-2-isobutyl-1-keto-4-(2-thienyl)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S/c1-15(2)14-27-19(13-26-23(29)30-24(3,4)5)21(20-7-6-10-31-20)18-11-16(12-25)8-9-17(18)22(27)28/h6-11,15H,13-14H2,1-5H3,(H,26,29)