[2-[[4-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [2-[[4-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-[4-(4-methylphenoxy)anilino]-2-oxo-ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-keto-2-[4-(4-methylphenoxy)anilino]ethyl] ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C22H20N2O5S/c1-16-5-9-18(10-6-16)29-19-11-7-17(8-12-19)23-20(25)14-28-22(26)15-30-21-4-2-3-13-24(21)27/h2-13H,14-15H2,1H3,(H,23,25)