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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(1-benzothiophen-5-yl)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(benzothiophen-5-yl)-3-methyl-butanoate CAS Name: 2-(1-benzothiophen-5-yl)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(1-benzothiophen-5-yl)-3-methylbutanoate Traditional Name: 2-(benzothiophen-5-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=CC2=C(C=C1)SC=C2)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)SC=C2)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

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