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

Systemtic Name: 4-[9-(diethylamino)-11-methyl-5-oxidanylidene-benzo[a]phenothiazin-2-yl]oxybutanoic acid Openeye Name: 4-[9-(diethylamino)-11-methyl-5-oxo-benzo[a]phenothiazin-2-yl]oxybutanoic acid CAS Name: 4-[[9-(diethylamino)-11-methyl-5-oxo-2-benzo[a]phenothiazinyl]oxy]butanoic acid IUPAC Name: 4-[9-(diethylamino)-11-methyl-5-oxobenzo[a]phenothiazin-2-yl]oxybutanoic acid Traditional Name: 4-[9-(diethylamino)-5-keto-11-methyl-benzo[a]phenothiazin-2-yl]oxybutyric acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C(=C1)C)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCCCC(=O)O)S2

Isomeric SMILES

CCN(CC)C1=CC2=C(C(=C1)C)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCCCC(=O)O)S2

InChI

InChI=1S/C25H26N2O4S/c1-4-27(5-2)16-11-15(3)24-21(12-16)32-22-14-20(28)18-9-8-17(13-19(18)25(22)26-24)31-10-6-7-23(29)30/h8-9,11-14H,4-7,10H2,1-3H3,(H,29,30)