ethyl 3-[4-[2-[5-(4-cyanopyrimidin-2-yl)thiophen-2-yl]ethoxy]phenyl]-2-ethoxy-propanoate

Systemtic Name: ethyl 3-[4-[2-[5-(4-cyanopyrimidin-2-yl)thiophen-2-yl]ethoxy]phenyl]-2-ethoxy-propanoate Openeye Name: ethyl 3-[4-[2-[5-(4-cyanopyrimidin-2-yl)-2-thienyl]ethoxy]phenyl]-2-ethoxy-propanoate CAS Name: 3-[4-[2-[5-(4-cyano-2-pyrimidinyl)-2-thiophenyl]ethoxy]phenyl]-2-ethoxypropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-[5-(4-cyanopyrimidin-2-yl)thiophen-2-yl]ethoxy]phenyl]-2-ethoxypropanoate Traditional Name: 3-[4-[2-[5-(4-cyanopyrimidin-2-yl)-2-thienyl]ethoxy]phenyl]-2-ethoxy-propionic acid ethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(S2)C3=NC=CC(=N3)C#N)C(=O)OCC

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(S2)C3=NC=CC(=N3)C#N)C(=O)OCC

InChI

InChI=1S/C24H25N3O4S/c1-3-29-21(24(28)30-4-2)15-17-5-7-19(8-6-17)31-14-12-20-9-10-22(32-20)23-26-13-11-18(16-25)27-23/h5-11,13,21H,3-4,12,14-15H2,1-2H3