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

Systemtic Name: (E)-2-cyano-3-(4-octoxyphenyl)-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide Openeye Name: (E)-N-(5-benzylthiazol-2-yl)-2-cyano-3-(4-octoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-octoxyphenyl)-N-[5-(phenylmethyl)-2-thiazolyl]-2-propenamide IUPAC Name: (E)-N-(5-benzyl-1,3-thiazol-2-yl)-2-cyano-3-(4-octoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(5-benzylthiazol-2-yl)-2-cyano-3-(4-octoxyphenyl)acrylamide Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC=C(S2)CC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O2S/c1-2-3-4-5-6-10-17-33-25-15-13-23(14-16-25)18-24(20-29)27(32)31-28-30-21-26(34-28)19-22-11-8-7-9-12-22/h7-9,11-16,18,21H,2-6,10,17,19H2,1H3,(H,30,31,32)/b24-18+