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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCC(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CSC(=C1)C(=O)CCC(=O)OCC2=CC=C(C=C2)C#N

InChI

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