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

Systemtic Name: propan-2-yl 1,1-bis(oxidanylidene)-2-(2-oxidanylidenebutyl)-6,7-dihydro-3H-1,2-thiazepine-7-carboxylate Openeye Name: isopropyl 1,1-dioxo-2-(2-oxobutyl)-6,7-dihydro-3H-thiazepine-7-carboxylate CAS Name: 1,1-dioxo-2-(2-oxobutyl)-6,7-dihydro-3H-thiazepine-7-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1,1-dioxo-2-(2-oxobutyl)-6,7-dihydro-3H-thiazepine-7-carboxylate Traditional Name: 1,1-diketo-2-(2-ketobutyl)-6,7-dihydro-3H-thiazepine-7-carboxylic acid isopropyl ester Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1CC=CCC(S1(=O)=O)C(=O)OC(C)C

Isomeric SMILES

CCC(=O)CN1CC=CCC(S1(=O)=O)C(=O)OC(C)C

InChI

InChI=1S/C13H21NO5S/c1-4-11(15)9-14-8-6-5-7-12(20(14,17)18)13(16)19-10(2)3/h5-6,10,12H,4,7-9H2,1-3H3