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

Systemtic Name: (3-cyanophenyl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (3-cyanophenyl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (3-cyanobenzyl) ester Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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