[2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[[(3R)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[[(3R)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C14H14N2O5S MolecularWeight: 322.33636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CS(=O)(=O)C[C@@H]1NC(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H14N2O5S/c15-7-10-2-1-3-11(6-10)14(18)21-8-13(17)16-12-4-5-22(19,20)9-12/h1-3,6,12H,4-5,8-9H2,(H,16,17)/t12-/m1/s1