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

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-cyanobenzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-cyanobenzoate Traditional Name: 4-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=CSC(=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CSC(=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H13NO3S/c17-11-12-5-7-13(8-6-12)16(19)20-9-1-3-14(18)15-4-2-10-21-15/h2,4-8,10H,1,3,9H2