2-[2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]phenoxy]acetic acid CAS Name: 2-[2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]phenoxy]acetic acid IUPAC Name: 2-[2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[2-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]phenoxy]acetic acid Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC=CC=C4OCC(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC=CC=C4OCC(=O)O)C

InChI

InChI=1S/C26H28N2O4S/c1-18-12-13-24-26(19(18)2)28(21-9-4-6-11-23(21)33(24)31)15-7-14-27-16-20-8-3-5-10-22(20)32-17-25(29)30/h3-6,8-13,27H,7,14-17H2,1-2H3,(H,29,30)