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

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

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

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