2-[5-[(E)-(3-cyano-1-benzothiophen-2-yl)iminomethyl]-2-methoxy-phenoxy]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[5-[(E)-(3-cyano-1-benzothiophen-2-yl)iminomethyl]-2-methoxy-phenoxy]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[5-[(E)-(3-cyanobenzothiophen-2-yl)iminomethyl]-2-methoxy-phenoxy]acetamide CAS Name: 2-[5-[(E)-(3-cyano-1-benzothiophen-2-yl)iminomethyl]-2-methoxyphenoxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[5-[(E)-(3-cyano-1-benzothiophen-2-yl)iminomethyl]-2-methoxyphenoxy]acetamide Traditional Name: N-benzyl-2-[5-[(E)-(3-cyanobenzothiophen-2-yl)iminomethyl]-2-methoxy-phenoxy]acetamide Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NC2=C(C3=CC=CC=C3S2)C#N)OCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/C2=C(C3=CC=CC=C3S2)C#N)OCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H21N3O3S/c1-31-22-12-11-19(16-29-26-21(14-27)20-9-5-6-10-24(20)33-26)13-23(22)32-17-25(30)28-15-18-7-3-2-4-8-18/h2-13,16H,15,17H2,1H3,(H,28,30)/b29-16+