(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-butoxybenzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-butoxybenzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CS2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CS2

InChI

InChI=1S/C17H18O4S/c1-2-3-10-20-14-8-6-13(7-9-14)17(19)21-12-15(18)16-5-4-11-22-16/h4-9,11H,2-3,10,12H2,1H3