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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-(5-methyl-2-benzothiophen-1-yl)butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-(5-methyl-2-benzothiophen-1-yl)butanoate CAS Name: 3-methyl-2-(5-methyl-2-benzothiophen-1-yl)butanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-(5-methyl-2-benzothiophen-1-yl)butanoate Traditional Name: 3-methyl-2-(5-methylisobenzothiophen-1-yl)butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C28H25NO3S MolecularWeight: 455.568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CSC(=C2C=C1)C(C(C)C)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=CSC(=C2C=C1)C(C(C)C)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H25NO3S/c1-18(2)26(27-24-13-12-19(3)14-21(24)17-33-27)28(30)32-25(16-29)20-8-7-11-23(15-20)31-22-9-5-4-6-10-22/h4-15,17-18,25-26H,1-3H3