tert-butyl (3R)-1,1-bis(oxidanylidene)-2-[(4-pyridin-4-ylphenyl)methyl]-1,2-thiazinane-3-carboxylate

Systemtic Name: tert-butyl (3R)-1,1-bis(oxidanylidene)-2-[(4-pyridin-4-ylphenyl)methyl]-1,2-thiazinane-3-carboxylate Openeye Name: tert-butyl (3R)-1,1-dioxo-2-[[4-(4-pyridyl)phenyl]methyl]thiazinane-3-carboxylate CAS Name: (3R)-1,1-dioxo-2-[(4-pyridin-4-ylphenyl)methyl]-3-thiazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-1,1-dioxo-2-[(4-pyridin-4-ylphenyl)methyl]thiazinane-3-carboxylate Traditional Name: (3R)-1,1-diketo-2-[4-(4-pyridyl)benzyl]thiazinane-3-carboxylic acid tert-butyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCS(=O)(=O)N1CC2=CC=C(C=C2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1CCCS(=O)(=O)N1CC2=CC=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C21H26N2O4S/c1-21(2,3)27-20(24)19-5-4-14-28(25,26)23(19)15-16-6-8-17(9-7-16)18-10-12-22-13-11-18/h6-13,19H,4-5,14-15H2,1-3H3/t19-/m1/s1