(E)-2-cyano-3-(4-phenylmethoxyphenyl)-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(4-phenylmethoxyphenyl)-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide Openeye Name: (E)-3-(4-benzyloxyphenyl)-N-(5-benzylthiazol-2-yl)-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-3-(4-phenylmethoxyphenyl)-N-[5-(phenylmethyl)-2-thiazolyl]-2-propenamide IUPAC Name: (E)-N-(5-benzyl-1,3-thiazol-2-yl)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxyphenyl)-N-(5-benzylthiazol-2-yl)-2-cyano-acrylamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H21N3O2S/c28-17-23(15-21-11-13-24(14-12-21)32-19-22-9-5-2-6-10-22)26(31)30-27-29-18-25(33-27)16-20-7-3-1-4-8-20/h1-15,18H,16,19H2,(H,29,30,31)/b23-15+