S-ethyl (2R,3S)-3-oxidanyl-2-phenylmethoxy-hex-4-ynethioate

Systemtic Name: S-ethyl (2R,3S)-3-oxidanyl-2-phenylmethoxy-hex-4-ynethioate Openeye Name: S-ethyl (2R,3S)-2-benzyloxy-3-hydroxy-hex-4-ynethioate CAS Name: (2R,3S)-3-hydroxy-2-phenylmethoxy-4-hexynethioic acid S-ethyl ester IUPAC Name: S-ethyl (2R,3S)-3-hydroxy-2-phenylmethoxyhex-4-ynethioate Traditional Name: (2R,3S)-2-benzoxy-3-hydroxy-hex-4-ynethioic acid S-ethyl ester Formula: C15H18O3S MolecularWeight: 278.36662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(C(C#CC)O)OCC1=CC=CC=C1

Isomeric SMILES

CCSC(=O)[C@@H]([C@H](C#CC)O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H18O3S/c1-3-8-13(16)14(15(17)19-4-2)18-11-12-9-6-5-7-10-12/h5-7,9-10,13-14,16H,4,11H2,1-2H3/t13-,14+/m0/s1