[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C25H21NO3S/c1-3-18-12-14-19(15-13-18)24(27)17(2)29-25(28)21-9-5-7-11-23(21)30-22-10-6-4-8-20(22)16-26/h4-15,17H,3H2,1-2H3/t17-/m0/s1