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

Systemtic Name: (E)-3-(6-methoxy-3-methyl-1-benzofuran-5-yl)-N-(4-methylsulfanylphenyl)but-2-enamide Openeye Name: (E)-3-(6-methoxy-3-methyl-benzofuran-5-yl)-N-(4-methylsulfanylphenyl)but-2-enamide CAS Name: (E)-3-(6-methoxy-3-methyl-5-benzofuranyl)-N-[4-(methylthio)phenyl]-2-butenamide IUPAC Name: (E)-3-(6-methoxy-3-methyl-1-benzofuran-5-yl)-N-(4-methylsulfanylphenyl)but-2-enamide Traditional Name: (E)-3-(6-methoxy-3-methyl-benzofuran-5-yl)-N-[4-(methylthio)phenyl]but-2-enamide Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC(=C(C=C12)C(=CC(=O)NC3=CC=C(C=C3)SC)C)OC

Isomeric SMILES

CC1=COC2=CC(=C(C=C12)/C(=C/C(=O)NC3=CC=C(C=C3)SC)/C)OC

InChI

InChI=1S/C21H21NO3S/c1-13(9-21(23)22-15-5-7-16(26-4)8-6-15)17-10-18-14(2)12-25-20(18)11-19(17)24-3/h5-12H,1-4H3,(H,22,23)/b13-9+