[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)CSC3=CC=CC=[N+]3[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)CSC3=CC=CC=[N+]3[O-])OC

InChI

InChI=1S/C19H18N2O5S2/c1-24-15-7-6-13(9-16(15)25-2)19-20-14(11-28-19)10-26-18(22)12-27-17-5-3-4-8-21(17)23/h3-9,11H,10,12H2,1-2H3