(2-cyanophenyl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (2-cyanophenyl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (2-cyanophenyl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (2-cyanobenzyl) ester Formula: C16H13NO3S MolecularWeight: 299.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CCC(=O)C2=CC=CS2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CCC(=O)C2=CC=CS2)C#N

InChI

InChI=1S/C16H13NO3S/c17-10-12-4-1-2-5-13(12)11-20-16(19)8-7-14(18)15-6-3-9-21-15/h1-6,9H,7-8,11H2