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

Systemtic Name: 3-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]-2-hydroxy-benzoic acid CAS Name: 3-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]-2-hydroxybenzoic acid IUPAC Name: 3-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-3-[[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=CC(=C4O)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC=CC(=C4O)C(=O)O)C

InChI

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