[cyano-(3-phenoxyphenyl)methyl] 2-(4-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chloro-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(4-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chloro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(4-chloroisobenzothiophen-1-yl)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C27H22ClNO3S MolecularWeight: 475.98648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC=C(C2=CS1)Cl)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=C2C=CC=C(C2=CS1)Cl)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H22ClNO3S/c1-17(2)25(26-21-12-7-13-23(28)22(21)16-33-26)27(30)32-24(15-29)18-8-6-11-20(14-18)31-19-9-4-3-5-10-19/h3-14,16-17,24-25H,1-2H3