4-[6-bromanyl-9-(diethylamino)-11-methyl-5-oxidanylidene-benzo[a]phenothiazin-2-yl]oxybutanoic acid

Systemtic Name: 4-[6-bromanyl-9-(diethylamino)-11-methyl-5-oxidanylidene-benzo[a]phenothiazin-2-yl]oxybutanoic acid Openeye Name: 4-[6-bromo-9-(diethylamino)-11-methyl-5-oxo-benzo[a]phenothiazin-2-yl]oxybutanoic acid CAS Name: 4-[[6-bromo-9-(diethylamino)-11-methyl-5-oxo-2-benzo[a]phenothiazinyl]oxy]butanoic acid IUPAC Name: 4-[6-bromo-9-(diethylamino)-11-methyl-5-oxobenzo[a]phenothiazin-2-yl]oxybutanoic acid Traditional Name: 4-[6-bromo-9-(diethylamino)-5-keto-11-methyl-benzo[a]phenothiazin-2-yl]oxybutyric acid Formula: C25H25BrN2O4S MolecularWeight: 529.446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C(=C1)C)N=C3C4=C(C=CC(=C4)OCCCC(=O)O)C(=O)C(=C3S2)Br

Isomeric SMILES

CCN(CC)C1=CC2=C(C(=C1)C)N=C3C4=C(C=CC(=C4)OCCCC(=O)O)C(=O)C(=C3S2)Br

InChI

InChI=1S/C25H25BrN2O4S/c1-4-28(5-2)15-11-14(3)22-19(12-15)33-25-21(26)24(31)17-9-8-16(13-18(17)23(25)27-22)32-10-6-7-20(29)30/h8-9,11-13H,4-7,10H2,1-3H3,(H,29,30)