(3,3-dimethyl-2-oxidanylidene-butyl) 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CCC(=O)C1=CC=CS1

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CCC(=O)C1=CC=CS1

InChI

InChI=1S/C14H18O4S/c1-14(2,3)12(16)9-18-13(17)7-6-10(15)11-5-4-8-19-11/h4-5,8H,6-7,9H2,1-3H3