(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)-N-(4-methylsulfanylphenyl)but-2-enamide

Systemtic Name: (E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)-N-(4-methylsulfanylphenyl)but-2-enamide Openeye Name: (E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)-N-(4-methylsulfanylphenyl)but-2-enamide CAS Name: (E)-3-(6-ethoxy-3-phenyl-5-benzofuranyl)-N-[4-(methylthio)phenyl]-2-butenamide IUPAC Name: (E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)-N-(4-methylsulfanylphenyl)but-2-enamide Traditional Name: (E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)-N-[4-(methylthio)phenyl]but-2-enamide Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)C(=CC(=O)NC4=CC=C(C=C4)SC)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)/C(=C/C(=O)NC4=CC=C(C=C4)SC)/C

InChI

InChI=1S/C27H25NO3S/c1-4-30-25-16-26-23(24(17-31-26)19-8-6-5-7-9-19)15-22(25)18(2)14-27(29)28-20-10-12-21(32-3)13-11-20/h5-17H,4H2,1-3H3,(H,28,29)/b18-14+