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

Systemtic Name: 3-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C29H23N3O4S MolecularWeight: 509.57562

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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=CC=C3)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H23N3O4S/c1-18(27(33)31-22-10-6-9-21(15-22)29(34)35)37-28-25(17-30)24(19-11-13-23(36-2)14-12-19)16-26(32-28)20-7-4-3-5-8-20/h3-16,18H,1-2H3,(H,31,33)(H,34,35)