(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(2-cyanophenyl)benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(2-cyanophenyl)benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C22H17NO3S/c23-15-16-7-1-2-8-17(16)18-9-3-4-10-19(18)22(25)26-13-5-11-20(24)21-12-6-14-27-21/h1-4,6-10,12,14H,5,11,13H2