[2-[[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-[[(3R)-1,1-diketo-3-methyl-thiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C14H16BrNO6S MolecularWeight: 406.24894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

C[C@]1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C14H16BrNO6S/c1-14(4-5-23(20,21)8-14)16-12(18)7-22-13(19)10-6-9(15)2-3-11(10)17/h2-3,6,17H,4-5,7-8H2,1H3,(H,16,18)/t14-/m1/s1