2-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-1-ium-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: 2-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-1-ium-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: 2-[[2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-1-ium-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridin-1-iumyl]thio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-1-ium-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-1-ium-2-yl]thio]acetyl]amino]acetate Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(=O)NCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(=O)NCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H19N3O4S/c1-30-17-9-7-15(8-10-17)18-11-20(16-5-3-2-4-6-16)26-23(19(18)12-24)31-14-21(27)25-13-22(28)29/h2-11H,13-14H2,1H3,(H,25,27)(H,28,29)