(E)-2-cyano-N-(4-ethylphenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(4-ethylphenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-ethylphenyl)-3-[4-(thiazol-4-ylmethoxy)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-(4-ethylphenyl)-3-[4-(4-thiazolylmethoxy)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-ethylphenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(4-ethylphenyl)-3-[4-(thiazol-4-ylmethoxy)phenyl]acrylamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CSC=N3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CSC=N3)/C#N

InChI

InChI=1S/C22H19N3O2S/c1-2-16-3-7-19(8-4-16)25-22(26)18(12-23)11-17-5-9-21(10-6-17)27-13-20-14-28-15-24-20/h3-11,14-15H,2,13H2,1H3,(H,25,26)/b18-11+