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

Systemtic Name: tert-butyl N-[[6-(2-azanyl-2-oxidanylidene-ethoxy)-2-(2-methylpropyl)-1-oxidanylidene-4-thiophen-2-yl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-(2-amino-2-oxo-ethoxy)-2-isobutyl-1-oxo-4-(2-thienyl)-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-(2-amino-2-oxoethoxy)-2-(2-methylpropyl)-1-oxo-4-thiophen-2-yl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-(2-amino-2-oxoethoxy)-2-(2-methylpropyl)-1-oxo-4-thiophen-2-ylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-(2-amino-2-keto-ethoxy)-2-isobutyl-1-keto-4-(2-thienyl)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5S/c1-15(2)13-28-19(12-27-24(31)33-25(3,4)5)22(20-7-6-10-34-20)18-11-16(32-14-21(26)29)8-9-17(18)23(28)30/h6-11,15H,12-14H2,1-5H3,(H2,26,29)(H,27,31)