(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(3,4-dicyanophenoxy)benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(3,4-dicyanophenoxy)benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-(3,4-dicyanophenoxy)benzoate CAS Name: 3-(3,4-dicyanophenoxy)benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-(3,4-dicyanophenoxy)benzoate Traditional Name: 3-(3,4-dicyanophenoxy)benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C21H12N2O4S MolecularWeight: 388.39598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C#N)C#N)C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C#N)C#N)C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H12N2O4S/c22-11-15-6-7-18(10-16(15)12-23)27-17-4-1-3-14(9-17)21(25)26-13-19(24)20-5-2-8-28-20/h1-10H,13H2