[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C22H15IN2O3S MolecularWeight: 514.33557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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