[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C)C

InChI

InChI=1S/C25H21NO3S/c1-16-12-18(3)21(13-17(16)2)22(27)15-29-25(28)20-9-5-7-11-24(20)30-23-10-6-4-8-19(23)14-26/h4-13H,15H2,1-3H3