2-chloranyl-5-[2-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]butanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanylbutanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]butanoylamino]benzoic acid Formula: C31H26ClN3O5S MolecularWeight: 588.07324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H26ClN3O5S/c1-4-27(29(36)34-19-13-14-24(32)22(15-19)31(37)38)41-30-23(17-33)21(16-25(35-30)18-9-6-5-7-10-18)20-11-8-12-26(39-2)28(20)40-3/h5-16,27H,4H2,1-3H3,(H,34,36)(H,37,38)