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

Systemtic Name: [2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-(3,4-dichlorophenyl)-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(3,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(3,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C22H13Cl2NO3S MolecularWeight: 442.31452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H13Cl2NO3S/c23-17-10-9-14(11-18(17)24)19(26)13-28-22(27)16-6-2-4-8-21(16)29-20-7-3-1-5-15(20)12-25/h1-11H,13H2