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

Systemtic Name: 5-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]-2-hydroxy-benzoic acid CAS Name: 5-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-5-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]benzoic acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC(=C(C=C4)O)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC(=C(C=C4)O)C(=O)O)C

InChI

InChI=1S/C25H26N2O4S/c1-16-8-11-23-24(17(16)2)27(20-6-3-4-7-22(20)32(23)31)13-5-12-26-15-18-9-10-21(28)19(14-18)25(29)30/h3-4,6-11,14,26,28H,5,12-13,15H2,1-2H3,(H,29,30)