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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,3-dimethylphenoxy)butanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2,3-dimethylphenoxy)butanamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,3-dimethylphenoxy)butanamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,3-dimethylphenoxy)butanamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2,3-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=CC=CC(=C3C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCOC3=CC=CC(=C3C)C

InChI

InChI=1S/C22H26N2O2S/c1-14-9-10-17-18(13-23)22(27-20(17)12-14)24-21(25)8-5-11-26-19-7-4-6-15(2)16(19)3/h4,6-7,14H,5,8-12H2,1-3H3,(H,24,25)