methyl 2-[2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: methyl 2-[2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]thiazol-4-yl]acetic acid methyl ester Formula: C13H13N3O4S2 MolecularWeight: 339.39002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CSC(=N1)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

COC(=O)CC1=CSC(=N1)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H13N3O4S2/c1-20-12(18)6-9-7-22-13(14-9)15-10(17)8-21-11-4-2-3-5-16(11)19/h2-5,7H,6,8H2,1H3,(H,14,15,17)