1-cyanoethyl 4-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate

Systemtic Name: 1-cyanoethyl 4-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate Openeye Name: 1-cyanoethyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate CAS Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate Traditional Name: 4-(1,1-diketo-1,2-thiazolidin-2-yl)benzoic acid 1-cyanoethyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=C(C=C1)N2CCCS2(=O)=O

Isomeric SMILES

CC(C#N)OC(=O)C1=CC=C(C=C1)N2CCCS2(=O)=O

InChI

InChI=1S/C13H14N2O4S/c1-10(9-14)19-13(16)11-3-5-12(6-4-11)15-7-2-8-20(15,17)18/h3-6,10H,2,7-8H2,1H3