methyl 3,3-dimethyl-5-oxidanylidene-5-thiophen-2-yl-pentanoate

Systemtic Name: methyl 3,3-dimethyl-5-oxidanylidene-5-thiophen-2-yl-pentanoate Openeye Name: methyl 3,3-dimethyl-5-oxo-5-(2-thienyl)pentanoate CAS Name: 3,3-dimethyl-5-oxo-5-thiophen-2-ylpentanoic acid methyl ester IUPAC Name: methyl 3,3-dimethyl-5-oxo-5-thiophen-2-ylpentanoate Traditional Name: 5-keto-3,3-dimethyl-5-(2-thienyl)valeric acid methyl ester Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC=CS1)CC(=O)OC

Isomeric SMILES

CC(C)(CC(=O)C1=CC=CS1)CC(=O)OC

InChI

InChI=1S/C12H16O3S/c1-12(2,8-11(14)15-3)7-9(13)10-5-4-6-16-10/h4-6H,7-8H2,1-3H3