(4Z)-2-tert-butyl-5,7-dimethoxy-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one

Systemtic Name: (4Z)-2-tert-butyl-5,7-dimethoxy-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one Openeye Name: (4Z)-2-tert-butyl-5,7-dimethoxy-4-(phenylsulfanylmethylene)-1H-isoquinolin-3-one CAS Name: (4Z)-2-tert-butyl-5,7-dimethoxy-4-[(phenylthio)methylidene]-1H-isoquinolin-3-one IUPAC Name: (4Z)-2-tert-butyl-5,7-dimethoxy-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one Traditional Name: (4Z)-2-tert-butyl-5,7-dimethoxy-4-[(phenylthio)methylene]-1H-isoquinolin-3-one Formula: C22H25NO3S MolecularWeight: 383.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC2=CC(=CC(=C2C(=CSC3=CC=CC=C3)C1=O)OC)OC

Isomeric SMILES

CC(C)(C)N1CC2=CC(=CC(=C2/C(=C/SC3=CC=CC=C3)/C1=O)OC)OC

InChI

InChI=1S/C22H25NO3S/c1-22(2,3)23-13-15-11-16(25-4)12-19(26-5)20(15)18(21(23)24)14-27-17-9-7-6-8-10-17/h6-12,14H,13H2,1-5H3/b18-14-