2-chloranyl-5-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C29H22ClN3O4S MolecularWeight: 544.02068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C29H22ClN3O4S/c1-17(27(34)32-20-10-13-25(30)23(14-20)29(35)36)38-28-24(16-31)22(18-8-11-21(37-2)12-9-18)15-26(33-28)19-6-4-3-5-7-19/h3-15,17H,1-2H3,(H,32,34)(H,35,36)