2-(4-cyanophenoxy)ethyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: 2-(4-cyanophenoxy)ethyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid 2-(4-cyanophenoxy)ethyl ester Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)OCCOC2=CC=C(C=C2)C#N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)OCCOC2=CC=C(C=C2)C#N)[O-]

InChI

InChI=1S/C16H14N2O4S/c17-11-13-4-6-14(7-5-13)21-9-10-22-16(19)12-23-15-3-1-2-8-18(15)20/h1-8H,9-10,12H2