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

Systemtic Name: tert-butyl N-[[2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-4-thiophen-2-yl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-benzyloxy-2-isobutyl-1-oxo-4-(2-thienyl)-3-isoquinolyl]methyl]carbamate CAS Name: N-[[2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-4-thiophen-2-yl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-4-thiophen-2-ylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-benzoxy-2-isobutyl-1-keto-4-(2-thienyl)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C30H34N2O4S MolecularWeight: 518.66696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CS4)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CS4)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C30H34N2O4S/c1-20(2)18-32-25(17-31-29(34)36-30(3,4)5)27(26-12-9-15-37-26)24-16-22(13-14-23(24)28(32)33)35-19-21-10-7-6-8-11-21/h6-16,20H,17-19H2,1-5H3,(H,31,34)