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

Systemtic Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enamide Openeye Name: N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-2-cyano-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enamide CAS Name: N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-2-cyano-3-(3-methoxy-4-pentoxyphenyl)-2-propenamide IUPAC Name: N-[5-[(4-bromophenyl)methyl]-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-(4-bromobenzyl)thiazol-2-yl]-2-cyano-acrylamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O3S/c1-3-4-5-12-33-23-11-8-19(15-24(23)32-2)13-20(16-28)25(31)30-26-29-17-22(34-26)14-18-6-9-21(27)10-7-18/h6-11,13,15,17H,3-5,12,14H2,1-2H3,(H,29,30,31)