ethyl 4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)piperazin-4-ium-1-carboxylate; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)piperazin-4-ium-1-carboxylate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: ethyl 4-(2-oxo-2-phenothiazin-10-yl-ethyl)piperazin-4-ium-1-carboxylate; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; 4-[2-oxo-2-(10-phenothiazinyl)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-oxo-2-phenothiazin-10-ylethyl)piperazin-4-ium-1-carboxylate; 2-hydroxy-2-oxoacetate Traditional Name: 4-(2-keto-2-phenothiazin-10-yl-ethyl)piperazin-4-ium-1-carboxylic acid ethyl ester binoxalate Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H23N3O3S.C2H2O4/c1-2-27-21(26)23-13-11-22(12-14-23)15-20(25)24-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)24;3-1(4)2(5)6/h3-10H,2,11-15H2,1H3;(H,3,4)(H,5,6)