ethyl (1S,4R)-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-thiabicyclo[2.2.2]oct-5-ene-2-carboxylate

Systemtic Name: ethyl (1S,4R)-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-thiabicyclo[2.2.2]oct-5-ene-2-carboxylate Openeye Name: ethyl (1S,4R)-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-thiabicyclo[2.2.2]oct-5-ene-2-carboxylate CAS Name: (1S,4R)-2-[(2-ethoxy-2-oxoethyl)thio]-3-thiabicyclo[2.2.2]oct-5-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,4R)-2-(2-ethoxy-2-oxoethyl)sulfanyl-3-thiabicyclo[2.2.2]oct-5-ene-2-carboxylate Traditional Name: (1S,4R)-2-[(2-ethoxy-2-keto-ethyl)thio]-3-thiabicyclo[2.2.2]oct-5-ene-2-carboxylic acid ethyl ester Formula: C14H20O4S2 MolecularWeight: 316.4362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1(C2CCC(S1)C=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)CSC1([C@H]2CC[C@@H](S1)C=C2)C(=O)OCC

InChI

InChI=1S/C14H20O4S2/c1-3-17-12(15)9-19-14(13(16)18-4-2)10-5-7-11(20-14)8-6-10/h5,7,10-11H,3-4,6,8-9H2,1-2H3/t10-,11+,14?/m1/s1