dimethyl 2-[(1S)-3-oxidanylidene-1-thiophen-2-yl-butyl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-3-oxidanylidene-1-thiophen-2-yl-butyl]propanedioate Openeye Name: dimethyl 2-[(1S)-3-oxo-1-(2-thienyl)butyl]propanedioate CAS Name: 2-[(1S)-3-oxo-1-thiophen-2-ylbutyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-3-oxo-1-thiophen-2-ylbutyl]propanedioate Traditional Name: 2-[(1S)-3-keto-1-(2-thienyl)butyl]malonic acid dimethyl ester Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C[C@H](C1=CC=CS1)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H16O5S/c1-8(14)7-9(10-5-4-6-19-10)11(12(15)17-2)13(16)18-3/h4-6,9,11H,7H2,1-3H3/t9-/m1/s1