[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C

InChI

InChI=1S/C25H21NO3S/c1-16-12-13-19(14-17(16)2)24(27)18(3)29-25(28)21-9-5-7-11-23(21)30-22-10-6-4-8-20(22)15-26/h4-14,18H,1-3H3/t18-/m0/s1