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

Systemtic Name: (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide Openeye Name: (E)-N-(5-benzylthiazol-2-yl)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-N-[5-(phenylmethyl)-2-thiazolyl]-2-propenamide IUPAC Name: (E)-N-(5-benzyl-1,3-thiazol-2-yl)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(5-benzylthiazol-2-yl)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acrylamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C27H29N3O3S/c1-3-4-5-9-14-33-24-13-12-21(17-25(24)32-2)15-22(18-28)26(31)30-27-29-19-23(34-27)16-20-10-7-6-8-11-20/h6-8,10-13,15,17,19H,3-5,9,14,16H2,1-2H3,(H,29,30,31)/b22-15+