(E)-3-(5-bromanyl-2-ethoxy-phenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-ethoxy-phenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-ethoxy-phenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-ethoxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-ethoxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-ethoxy-phenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

InChI

InChI=1S/C21H21BrN2O2S/c1-3-26-18-8-6-15(22)11-14(18)5-9-20(25)24-21-17(12-23)16-7-4-13(2)10-19(16)27-21/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,24,25)/b9-5+