[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C13H14BrNO5S MolecularWeight: 376.22296

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H14BrNO5S/c14-10-3-1-2-9(6-10)13(17)20-7-12(16)15-11-4-5-21(18,19)8-11/h1-3,6,11H,4-5,7-8H2,(H,15,16)