ethyl (1S,4R)-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-thiabicyclo[2.2.1]hept-5-ene-2-carboxylate

Systemtic Name: ethyl (1S,4R)-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-thiabicyclo[2.2.1]hept-5-ene-2-carboxylate Openeye Name: ethyl (1S,4R)-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-thiabicyclo[2.2.1]hept-5-ene-2-carboxylate CAS Name: (1S,4R)-2-[(2-ethoxy-2-oxoethyl)thio]-3-thiabicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,4R)-2-(2-ethoxy-2-oxoethyl)sulfanyl-3-thiabicyclo[2.2.1]hept-5-ene-2-carboxylate Traditional Name: (1S,4R)-2-[(2-ethoxy-2-keto-ethyl)thio]-3-thiabicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester Formula: C13H18O4S2 MolecularWeight: 302.40962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1(C2CC(S1)C=C2)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S2/c1-3-16-11(14)8-18-13(12(15)17-4-2)9-5-6-10(7-9)19-13/h5-6,9-10H,3-4,7-8H2,1-2H3/t9-,10+,13?/m1/s1