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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(p-tolyl)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-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-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-(p-tolyl)thiazol-4-yl]methyl ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H16N2O3S2/c1-13-5-7-14(8-6-13)18-19-15(11-25-18)10-23-17(21)12-24-16-4-2-3-9-20(16)22/h2-9,11H,10,12H2,1H3