[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butan-2-yl-amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butan-2-yl-amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-sec-butyl-amino]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[butan-2-yl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[(1,1-diketothiolan-3-yl)-sec-butyl-amino]-2-keto-ethyl] ester Formula: C17H22BrNO5S MolecularWeight: 432.32928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H22BrNO5S/c1-3-12(2)19(15-8-9-25(22,23)11-15)16(20)10-24-17(21)13-4-6-14(18)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3