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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]acetamide Formula: C21H24FN3O2S MolecularWeight: 401.497563

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN(C)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CN(C)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H24FN3O2S/c1-13-4-6-15-16(10-23)21(28-19(15)8-13)24-20(26)12-25(2)11-14-5-7-18(27-3)17(22)9-14/h5,7,9,13H,4,6,8,11-12H2,1-3H3,(H,24,26)/t13-/m0/s1