(E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-2-phenylmethoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-2-phenylmethoxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(2-benzyloxy-3-methoxy-phenyl)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-2-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(2-benzoxy-3-methoxy-phenyl)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C(=CC2=C(C(=CC=C2)OC)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)/C(=C/C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H20N4O3S/c1-3-19-25-26-22(30-19)24-21(27)17(13-23)12-16-10-7-11-18(28-2)20(16)29-14-15-8-5-4-6-9-15/h4-12H,3,14H2,1-2H3,(H,24,26,27)/b17-12+