ethyl 2-[3-cyano-6-[6-[5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-phenyl-pyridin-2-yl]pyridin-2-yl]-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-6-[6-[5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-phenyl-pyridin-2-yl]pyridin-2-yl]-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-6-[6-[5-cyano-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-phenyl-2-pyridyl]-2-pyridyl]-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-[6-[5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4-phenyl-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-[6-[5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-phenylpyridin-2-yl]pyridin-2-yl]-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-[6-[5-cyano-6-[(2-ethoxy-2-keto-ethyl)thio]-4-phenyl-2-pyridyl]-2-pyridyl]-4-phenyl-2-pyridyl]thio]acetic acid ethyl ester Formula: C37H29N5O4S2 MolecularWeight: 671.78726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=CC(=N1)C2=NC(=CC=C2)C3=NC(=C(C(=C3)C4=CC=CC=C4)C#N)SCC(=O)OCC)C5=CC=CC=C5)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=CC(=N1)C2=NC(=CC=C2)C3=NC(=C(C(=C3)C4=CC=CC=C4)C#N)SCC(=O)OCC)C5=CC=CC=C5)C#N

InChI

InChI=1S/C37H29N5O4S2/c1-3-45-34(43)22-47-36-28(20-38)26(24-12-7-5-8-13-24)18-32(41-36)30-16-11-17-31(40-30)33-19-27(25-14-9-6-10-15-25)29(21-39)37(42-33)48-23-35(44)46-4-2/h5-19H,3-4,22-23H2,1-2H3