2-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]acetyl]amino]acetic acid Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=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)