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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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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)CCCC3)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)OC

InChI

InChI=1S/C22H27N3O3S/c1-4-28-18-10-9-15(11-19(18)27-3)13-25(2)14-21(26)24-22-17(12-23)16-7-5-6-8-20(16)29-22/h9-11H,4-8,13-14H2,1-3H3,(H,24,26)