[cyano-(6-phenoxypyridin-2-yl)methyl] 2-(6-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [cyano-(6-phenoxypyridin-2-yl)methyl] 2-(6-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: [cyano-(6-phenoxy-2-pyridyl)methyl] 2-(6-chloro-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(6-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid [cyano-(6-phenoxy-2-pyridinyl)methyl] ester IUPAC Name: [cyano-(6-phenoxypyridin-2-yl)methyl] 2-(6-chloro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(6-chloroisobenzothiophen-1-yl)-3-methyl-butyric acid [cyano-(6-phenoxy-2-pyridyl)methyl] ester Formula: C26H21ClN2O3S MolecularWeight: 476.97454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN2O3S/c1-16(2)24(25-20-13-18(27)12-11-17(20)15-33-25)26(30)32-22(14-28)21-9-6-10-23(29-21)31-19-7-4-3-5-8-19/h3-13,15-16,22,24H,1-2H3