propan-2-yl 1,1-bis(oxidanylidene)-2-(2-oxidanylidenepropyl)-6,7-dihydro-3H-1,2-thiazepine-7-carboxylate

Systemtic Name: propan-2-yl 1,1-bis(oxidanylidene)-2-(2-oxidanylidenepropyl)-6,7-dihydro-3H-1,2-thiazepine-7-carboxylate Openeye Name: isopropyl 2-acetonyl-1,1-dioxo-6,7-dihydro-3H-thiazepine-7-carboxylate CAS Name: 1,1-dioxo-2-(2-oxopropyl)-6,7-dihydro-3H-thiazepine-7-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1,1-dioxo-2-(2-oxopropyl)-6,7-dihydro-3H-thiazepine-7-carboxylate Traditional Name: 2-acetonyl-1,1-diketo-6,7-dihydro-3H-thiazepine-7-carboxylic acid isopropyl ester Formula: C12H19NO5S MolecularWeight: 289.34796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CC=CCN(S1(=O)=O)CC(=O)C

Isomeric SMILES

CC(C)OC(=O)C1CC=CCN(S1(=O)=O)CC(=O)C

InChI

InChI=1S/C12H19NO5S/c1-9(2)18-12(15)11-6-4-5-7-13(8-10(3)14)19(11,16)17/h4-5,9,11H,6-8H2,1-3H3