2-cyano-3-(3-methoxy-4-pentoxy-phenyl)-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide

Systemtic Name: 2-cyano-3-(3-methoxy-4-pentoxy-phenyl)-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide Openeye Name: N-(5-benzylthiazol-2-yl)-2-cyano-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enamide CAS Name: 2-cyano-3-(3-methoxy-4-pentoxyphenyl)-N-[5-(phenylmethyl)-2-thiazolyl]-2-propenamide IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide Traditional Name: 3-(4-amoxy-3-methoxy-phenyl)-N-(5-benzylthiazol-2-yl)-2-cyano-acrylamide Formula: C26H27N3O3S MolecularWeight: 461.57588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C26H27N3O3S/c1-3-4-8-13-32-23-12-11-20(16-24(23)31-2)14-21(17-27)25(30)29-26-28-18-22(33-26)15-19-9-6-5-7-10-19/h5-7,9-12,14,16,18H,3-4,8,13,15H2,1-2H3,(H,28,29,30)