methyl 2-[3-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[3-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[3-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]propanoylamino]benzoate CAS Name: 2-[[3-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]propanoylamino]benzoic acid methyl ester Formula: C31H27N3O5S MolecularWeight: 553.62818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=CC=C3C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=CC=C3C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C31H27N3O5S/c1-37-27-15-9-13-21(29(27)38-2)23-18-26(20-10-5-4-6-11-20)34-30(24(23)19-32)40-17-16-28(35)33-25-14-8-7-12-22(25)31(36)39-3/h4-15,18H,16-17H2,1-3H3,(H,33,35)