N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-phenyl-ethanamide Openeye Name: N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-phenyl-acetamide CAS Name: N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-phenylacetamide IUPAC Name: N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-phenylacetamide Traditional Name: N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-phenyl-acetamide Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)CC3=CC=CC=C3)C#N

Isomeric SMILES

C[C@@H]1CCC2=C(C1)C(=C(S2)NC(=O)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H18N2OS/c1-12-7-8-16-14(9-12)15(11-19)18(22-16)20-17(21)10-13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3,(H,20,21)/t12-/m1/s1