[6-bromanyl-2-[[4-[3-(oxan-2-yloxy)propylsulfanyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-5-yl] ethanoate

Systemtic Name: [6-bromanyl-2-[[4-[3-(oxan-2-yloxy)propylsulfanyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-5-yl] ethanoate Openeye Name: [6-bromo-1-oxo-4-phenyl-3-propanoyl-2-[[4-(3-tetrahydropyran-2-yloxypropylsulfanyl)phenyl]methyl]-5-isoquinolyl] acetate CAS Name: acetic acid [6-bromo-2-[[4-[3-(2-oxanyloxy)propylthio]phenyl]methyl]-1-oxo-3-(1-oxopropyl)-4-phenyl-5-isoquinolinyl] ester IUPAC Name: [6-bromo-2-[[4-[3-(oxan-2-yloxy)propylsulfanyl]phenyl]methyl]-1-oxo-4-phenyl-3-propanoylisoquinolin-5-yl] acetate Traditional Name: acetic acid [6-bromo-1-keto-4-phenyl-3-propionyl-2-[4-(3-tetrahydropyran-2-yloxypropylthio)benzyl]-5-isoquinolyl] ester Formula: C35H36BrNO6S MolecularWeight: 678.63244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2OC(=O)C)Br)C(=O)N1CC3=CC=C(C=C3)SCCCOC4CCCCO4)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2OC(=O)C)Br)C(=O)N1CC3=CC=C(C=C3)SCCCOC4CCCCO4)C5=CC=CC=C5

InChI

InChI=1S/C35H36BrNO6S/c1-3-29(39)33-31(25-10-5-4-6-11-25)32-27(17-18-28(36)34(32)43-23(2)38)35(40)37(33)22-24-13-15-26(16-14-24)44-21-9-20-42-30-12-7-8-19-41-30/h4-6,10-11,13-18,30H,3,7-9,12,19-22H2,1-2H3