ethyl 2-[3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-oxidanylidene-pyrazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-oxo-pyrazin-1-yl]acetate CAS Name: 2-[3-[(1-oxido-2-pyridin-1-iumyl)thio]-2-oxo-1-pyrazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-oxopyrazin-1-yl]acetate Traditional Name: 2-[2-keto-3-[(1-oxidopyridin-1-ium-2-yl)thio]pyrazin-1-yl]acetic acid ethyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=CN=C(C1=O)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCOC(=O)CN1C=CN=C(C1=O)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H13N3O4S/c1-2-20-11(17)9-15-8-6-14-12(13(15)18)21-10-5-3-4-7-16(10)19/h3-8H,2,9H2,1H3