(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H27NO2S MolecularWeight: 429.57378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C)C(C)(C)C

InChI

InChI=1S/C27H27NO2S/c1-18-14-21(27(3,4)5)15-19(2)23(18)17-30-26(29)22-11-7-9-13-25(22)31-24-12-8-6-10-20(24)16-28/h6-15H,17H2,1-5H3