3-[(1S)-2-oxidanylidene-1-thiophen-2-yl-cyclohexyl]propanoate

Systemtic Name: 3-[(1S)-2-oxidanylidene-1-thiophen-2-yl-cyclohexyl]propanoate Openeye Name: 3-[(1S)-2-oxo-1-(2-thienyl)cyclohexyl]propanoate CAS Name: 3-[(1S)-2-oxo-1-thiophen-2-ylcyclohexyl]propanoate IUPAC Name: 3-[(1S)-2-oxo-1-thiophen-2-ylcyclohexyl]propanoate Traditional Name: 3-[(1S)-2-keto-1-(2-thienyl)cyclohexyl]propionate Formula: C13H15O3S- MolecularWeight: 251.3214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C1)(CCC(=O)[O-])C2=CC=CS2

Isomeric SMILES

C1CC[C@@](C(=O)C1)(CCC(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C13H16O3S/c14-10-4-1-2-7-13(10,8-6-12(15)16)11-5-3-9-17-11/h3,5,9H,1-2,4,6-8H2,(H,15,16)/p-1/t13-/m0/s1