(4-oxidanylidene-4-thiophen-2-yl-butyl) 3-cyanobenzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-cyanobenzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCCCC(=O)C2=CC=CS2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCCCC(=O)C2=CC=CS2)C#N

InChI

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