N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dimethylphenoxy)butanamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dimethylphenoxy)butanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2,5-dimethylphenoxy)butanamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dimethylphenoxy)butanamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dimethylphenoxy)butanamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2,5-dimethylphenoxy)butyramide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCOC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCOC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H26N2O2S/c1-14-6-8-16(3)19(11-14)26-10-4-5-21(25)24-22-18(13-23)17-9-7-15(2)12-20(17)27-22/h6,8,11,15H,4-5,7,9-10,12H2,1-3H3,(H,24,25)