[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)COC(=O)CSC1=CC=CC=[N+]1[O-]

Isomeric SMILES

C=CCNC(=O)COC(=O)CSC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C12H14N2O4S/c1-2-6-13-10(15)8-18-12(16)9-19-11-5-3-4-7-14(11)17/h2-5,7H,1,6,8-9H2,(H,13,15)