3-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C23H19N3O4S/c1-14(21(27)25-18-5-3-4-16(12-18)23(28)29)31-22-17(13-24)8-11-20(26-22)15-6-9-19(30-2)10-7-15/h3-12,14H,1-2H3,(H,25,27)(H,28,29)