dimethyl-[2-[methyl-(4-phenylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: dimethyl-[2-[methyl-(4-phenylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: dimethyl-[2-(N-methyl-4-phenylsulfanyl-anilino)-2-oxo-ethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: dimethyl-[2-[N-methyl-4-(phenylthio)anilino]-2-oxoethyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: dimethyl-[2-(N-methyl-4-phenylsulfanylanilino)-2-oxoethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: [2-keto-2-[N-methyl-4-(phenylthio)anilino]ethyl]-dimethyl-ammonium binoxalate Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(=O)N(C)C1=CC=C(C=C1)SC2=CC=CC=C2.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)CC(=O)N(C)C1=CC=C(C=C1)SC2=CC=CC=C2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H20N2OS.C2H2O4/c1-18(2)13-17(20)19(3)14-9-11-16(12-10-14)21-15-7-5-4-6-8-15;3-1(4)2(5)6/h4-12H,13H2,1-3H3;(H,3,4)(H,5,6)