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

Systemtic Name: ethyl 2-[2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H15N3O4S2 MolecularWeight: 353.4166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4S2/c1-2-21-13(19)7-10-8-23-14(15-10)16-11(18)9-22-12-5-3-4-6-17(12)20/h3-6,8H,2,7,9H2,1H3,(H,15,16,18)