[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C24H19NO3S MolecularWeight: 401.47756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO3S/c1-16-11-12-18(13-17(16)2)21(26)15-28-24(27)20-8-4-6-10-23(20)29-22-9-5-3-7-19(22)14-25/h3-13H,15H2,1-2H3