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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2-methylphenoxy)butanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-methylphenoxy)butanamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2-methylphenoxy)butanamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2-methylphenoxy)butanamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-methylphenoxy)butyramide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-14-9-10-16-17(13-22)21(26-19(16)12-14)23-20(24)8-5-11-25-18-7-4-3-6-15(18)2/h3-4,6-7,14H,5,8-12H2,1-2H3,(H,23,24)