(1S,6R)-6-(thiophen-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-(thiophen-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(2-thienylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[oxo-(thiophen-2-ylmethylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(thiophen-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(2-thenylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C13H14NO3S- MolecularWeight: 264.32016

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCC2=CC=CS2)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NCC2=CC=CS2)C(=O)[O-]

InChI

InChI=1S/C13H15NO3S/c15-12(14-8-9-4-3-7-18-9)10-5-1-2-6-11(10)13(16)17/h1-4,7,10-11H,5-6,8H2,(H,14,15)(H,16,17)/p-1/t10-,11+/m1/s1