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

Systemtic Name: ethyl 4-[2-[3-cyano-4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C38H33N3O5S MolecularWeight: 643.75072

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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)OCC)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)OCC)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C38H33N3O5S/c1-3-44-35-21-29(17-20-34(35)46-24-26-11-7-5-8-12-26)31-22-33(27-13-9-6-10-14-27)41-37(32(31)23-39)47-25-36(42)40-30-18-15-28(16-19-30)38(43)45-4-2/h5-22H,3-4,24-25H2,1-2H3,(H,40,42)