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

Systemtic Name: 4-chloranyl-3-[3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 4-chloro-3-[[3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C30H24ClN3O5S MolecularWeight: 574.04666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C30H24ClN3O5S/c1-38-20-9-11-27(39-2)22(15-20)21-16-25(18-6-4-3-5-7-18)34-29(23(21)17-32)40-13-12-28(35)33-26-14-19(30(36)37)8-10-24(26)31/h3-11,14-16H,12-13H2,1-2H3,(H,33,35)(H,36,37)