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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]acetamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)CC(=O)NC2=C(C3=C(S2)C[C@H](CC3)C)C#N)OC

InChI

InChI=1S/C23H29N3O3S/c1-5-29-19-9-7-16(11-20(19)28-4)13-26(3)14-22(27)25-23-18(12-24)17-8-6-15(2)10-21(17)30-23/h7,9,11,15H,5-6,8,10,13-14H2,1-4H3,(H,25,27)/t15-/m0/s1