[cyano-(3-phenoxyphenyl)methyl] 2-(5,6-dimethoxy-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(5,6-dimethoxy-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(5,6-dimethoxy-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(5,6-dimethoxy-2-benzothiophen-1-yl)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(5,6-dimethoxy-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5,6-dimethoxyisobenzothiophen-1-yl)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C29H27NO5S MolecularWeight: 501.59338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO5S/c1-18(2)27(28-23-15-25(33-4)24(32-3)14-20(23)17-36-28)29(31)35-26(16-30)19-9-8-12-22(13-19)34-21-10-6-5-7-11-21/h5-15,17-18,26-27H,1-4H3