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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C30H24ClN3O5S/c1-17(28(35)33-26-13-19(30(36)37)9-11-24(26)31)40-29-23(16-32)21(15-25(34-29)18-7-5-4-6-8-18)22-14-20(38-2)10-12-27(22)39-3/h4-15,17H,1-3H3,(H,33,35)(H,36,37)