ethyl 5-[(2R,3R,4S)-3-acetyloxy-4-isothiocyanato-oxolan-2-yl]-2-methyl-furan-3-carboxylate

Systemtic Name: ethyl 5-[(2R,3R,4S)-3-acetyloxy-4-isothiocyanato-oxolan-2-yl]-2-methyl-furan-3-carboxylate Openeye Name: ethyl 5-[(2R,3R,4S)-3-acetoxy-4-isothiocyanato-tetrahydrofuran-2-yl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(2R,3R,4S)-3-acetyloxy-4-isothiocyanato-2-oxolanyl]-2-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2R,3R,4S)-3-acetyloxy-4-isothiocyanatooxolan-2-yl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(2R,3R,4S)-3-acetoxy-4-isothiocyanato-tetrahydrofuran-2-yl]-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C15H17NO6S MolecularWeight: 339.36358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1)C2C(C(CO2)N=C=S)OC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1)[C@H]2[C@@H]([C@H](CO2)N=C=S)OC(=O)C)C

InChI

InChI=1S/C15H17NO6S/c1-4-19-15(18)10-5-12(21-8(10)2)14-13(22-9(3)17)11(6-20-14)16-7-23/h5,11,13-14H,4,6H2,1-3H3/t11-,13+,14-/m0/s1