1,2-oxazolidin-2-yl 2-[[(E)-2-cyanoethenyl]-ethanethioyl-amino]-3,5-bis(oxidanylidene)oxolane-2-carboxylate

Systemtic Name: 1,2-oxazolidin-2-yl 2-[[(E)-2-cyanoethenyl]-ethanethioyl-amino]-3,5-bis(oxidanylidene)oxolane-2-carboxylate Openeye Name: isoxazolidin-2-yl 2-[[(E)-2-cyanovinyl]-ethanethioyl-amino]-3,5-dioxo-tetrahydrofuran-2-carboxylate CAS Name: 2-[[(E)-2-cyanoethenyl]-(1-sulfanylideneethyl)amino]-3,5-dioxo-2-oxolanecarboxylic acid 2-isoxazolidinyl ester IUPAC Name: 1,2-oxazolidin-2-yl 2-[[(E)-2-cyanoethenyl]-ethanethioylamino]-3,5-dioxooxolane-2-carboxylate Traditional Name: 2-[[(E)-2-cyanovinyl]-thioacetyl-amino]-3,5-diketo-tetrahydrofuran-2-carboxylic acid isoxazolidin-2-yl ester Formula: C13H13N3O6S MolecularWeight: 339.32382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=S)N(C=CC#N)C1(C(=O)CC(=O)O1)C(=O)ON2CCCO2

Isomeric SMILES

CC(=S)N(/C=C/C#N)C1(C(=O)CC(=O)O1)C(=O)ON2CCCO2

InChI

InChI=1S/C13H13N3O6S/c1-9(23)15(5-2-4-14)13(10(17)8-11(18)21-13)12(19)22-16-6-3-7-20-16/h2,5H,3,6-8H2,1H3/b5-2+