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

Systemtic Name: (E)-2-cyano-3-(4-heptoxyphenyl)-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide Openeye Name: (E)-N-(5-benzylthiazol-2-yl)-2-cyano-3-(4-heptoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-heptoxyphenyl)-N-[5-(phenylmethyl)-2-thiazolyl]-2-propenamide IUPAC Name: (E)-N-(5-benzyl-1,3-thiazol-2-yl)-2-cyano-3-(4-heptoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(5-benzylthiazol-2-yl)-2-cyano-3-(4-heptoxyphenyl)acrylamide Formula: C27H29N3O2S MolecularWeight: 459.60306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC=C(S2)CC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O2S/c1-2-3-4-5-9-16-32-24-14-12-22(13-15-24)17-23(19-28)26(31)30-27-29-20-25(33-27)18-21-10-7-6-8-11-21/h6-8,10-15,17,20H,2-5,9,16,18H2,1H3,(H,29,30,31)/b23-17+