[cyano-(3-phenoxyphenyl)methyl] 2-(5-methoxy-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(5-methoxy-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(5-methoxy-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(5-methoxy-2-benzothiophen-1-yl)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(5-methoxy-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5-methoxyisobenzothiophen-1-yl)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C28H25NO4S MolecularWeight: 471.5674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC(=CC2=CS1)OC)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=C2C=CC(=CC2=CS1)OC)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H25NO4S/c1-18(2)26(27-24-13-12-22(31-3)15-20(24)17-34-27)28(30)33-25(16-29)19-8-7-11-23(14-19)32-21-9-5-4-6-10-21/h4-15,17-18,25-26H,1-3H3