(3-azanyl-3-oxidanylidene-propyl) 4-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) 4-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate Openeye Name: (3-amino-3-oxo-propyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate CAS Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate Traditional Name: 4-(1,1-diketo-1,2-thiazolidin-2-yl)benzoic acid (3-amino-3-keto-propyl) ester Formula: C13H16N2O5S MolecularWeight: 312.34154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)OCCC(=O)N

Isomeric SMILES

C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)OCCC(=O)N

InChI

InChI=1S/C13H16N2O5S/c14-12(16)6-8-20-13(17)10-2-4-11(5-3-10)15-7-1-9-21(15,18)19/h2-5H,1,6-9H2,(H2,14,16)