methyl 2-[3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]propanoylamino]benzoate CAS Name: 2-[[3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]propanoylamino]benzoic acid methyl ester Formula: C32H29N3O6S MolecularWeight: 583.65416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H29N3O6S/c1-38-27-16-21(17-28(39-2)30(27)40-3)23-18-26(20-10-6-5-7-11-20)35-31(24(23)19-33)42-15-14-29(36)34-25-13-9-8-12-22(25)32(37)41-4/h5-13,16-18H,14-15H2,1-4H3,(H,34,36)