[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C22H14BrNO3S MolecularWeight: 452.32046

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)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H14BrNO3S/c23-17-8-5-7-15(12-17)19(25)14-27-22(26)18-9-2-4-11-21(18)28-20-10-3-1-6-16(20)13-24/h1-12H,14H2