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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

InChI

InChI=1S/C22H26N2O2S/c1-3-16-7-9-17(10-8-16)26-12-4-5-21(25)24-22-19(14-23)18-11-6-15(2)13-20(18)27-22/h7-10,15H,3-6,11-13H2,1-2H3,(H,24,25)