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

Systemtic Name: 4-chloranyl-3-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C23H18ClN3O4S MolecularWeight: 467.92472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN3O4S/c1-13(21(28)26-20-11-15(23(29)30)5-9-18(20)24)32-22-16(12-25)6-10-19(27-22)14-3-7-17(31-2)8-4-14/h3-11,13H,1-2H3,(H,26,28)(H,29,30)