[(2S)-1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [(2S)-1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [(1S)-2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [(2S)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [(1S)-2-(2,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)OC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)OC)OC)OC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H20N2O6S/c1-12(26-17(21)11-27-16-6-4-5-9-20(16)23)18(22)19-14-10-13(24-2)7-8-15(14)25-3/h4-10,12H,11H2,1-3H3,(H,19,22)/t12-/m0/s1