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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(2-benzothiophen-1-yl)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-isobenzothiophen-1-yl-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C27H23NO3S MolecularWeight: 441.54142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23NO3S/c1-18(2)25(26-23-14-7-6-9-20(23)17-32-26)27(29)31-24(16-28)19-10-8-13-22(15-19)30-21-11-4-3-5-12-21/h3-15,17-18,24-25H,1-2H3