methyl 4-[2-[3-cyano-4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-cyano-4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4-(4-benzyloxy-3-ethoxy-phenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-cyano-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(4-benzoxy-3-ethoxy-phenyl)-3-cyano-6-phenyl-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C37H31N3O5S MolecularWeight: 629.72414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C37H31N3O5S/c1-3-44-34-20-28(16-19-33(34)45-23-25-10-6-4-7-11-25)30-21-32(26-12-8-5-9-13-26)40-36(31(30)22-38)46-24-35(41)39-29-17-14-27(15-18-29)37(42)43-2/h4-21H,3,23-24H2,1-2H3,(H,39,41)