2-(2-bromanyl-4,6-dimethyl-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-(2-bromanyl-4,6-dimethyl-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(2-bromo-4,6-dimethylphenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(2-bromo-4,6-dimethylphenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3Br)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3Br)C)C

InChI

InChI=1S/C20H21BrN2O2S/c1-11-4-5-14-15(9-22)20(26-17(14)8-11)23-18(24)10-25-19-13(3)6-12(2)7-16(19)21/h6-7,11H,4-5,8,10H2,1-3H3,(H,23,24)