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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(2-methoxy-5-methyl-benzyl)-methyl-amino]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-14-6-8-19(27-4)16(9-14)12-25(3)13-21(26)24-22-18(11-23)17-7-5-15(2)10-20(17)28-22/h6,8-9,15H,5,7,10,12-13H2,1-4H3,(H,24,26)/t15-/m0/s1