[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C22H15IN2O3S MolecularWeight: 514.33557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C22H15IN2O3S/c23-16-7-5-8-17(12-16)25-21(26)14-28-22(27)18-9-2-4-11-20(18)29-19-10-3-1-6-15(19)13-24/h1-12H,14H2,(H,25,26)